Home > Compound List > Compound details
 molecular structure
click picture or here to close

1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

ChemBase ID: 341723
Molecular Formular: C22H30N6O2
Molecular Mass: 410.5126
Monoisotopic Mass: 410.24302423
SMILES and InChIs

SMILES:
c1(N2CCC(N3CC(C(=O)NCc4cnccc4)CCC3)CC2)cc(ncn1)OC
Canonical SMILES:
COc1ncnc(c1)N1CCC(CC1)N1CCCC(C1)C(=O)NCc1cccnc1
InChI:
InChI=1S/C22H30N6O2/c1-30-21-12-20(25-16-26-21)27-10-6-19(7-11-27)28-9-3-5-18(15-28)22(29)24-14-17-4-2-8-23-13-17/h2,4,8,12-13,16,18-19H,3,5-7,9-11,14-15H2,1H3,(H,24,29)
InChIKey:
AOWQSDMBPWSWRK-UHFFFAOYSA-N

Cite this record

CBID:341723 http://www.chembase.cn/molecule-341723.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
IUPAC Traditional name
1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
Synonyms
1'-(6-methoxypyrimidin-4-yl)-N-(pyridin-3-ylmethyl)-1,4'-bipiperidine-3-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 14059131 external link Add to cart
Data Source Data ID Price
ChemBridge
14059131 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.172042  H Acceptors
H Donor LogD (pH = 5.5) -2.1253626 
LogD (pH = 7.4) -0.6986581  Log P 1.3683815 
Molar Refractivity 117.0947 cm3 Polarizability 44.270687 Å3
Polar Surface Area 83.48 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.98  LOG S -1.73 
Polar Surface Area 83.48 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle