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

6-[(3R,5R)-5-(morpholine-4-carbonyl)piperidine-3-carbonyl]-5,6,7,8-tetrahydro-1,6-naphthyridine

ChemBase ID: 341297
Molecular Formular: C19H26N4O3
Molecular Mass: 358.43474
Monoisotopic Mass: 358.20049071
SMILES and InChIs

SMILES:
N1(C(=O)[C@@H]2C[C@@H](C(=O)N3CCOCC3)CNC2)Cc2c(CC1)nccc2
Canonical SMILES:
O=C(N1CCc2c(C1)cccn2)[C@H]1CNC[C@@H](C1)C(=O)N1CCOCC1
InChI:
InChI=1S/C19H26N4O3/c24-18(22-6-8-26-9-7-22)15-10-16(12-20-11-15)19(25)23-5-3-17-14(13-23)2-1-4-21-17/h1-2,4,15-16,20H,3,5-13H2/t15-,16-/m1/s1
InChIKey:
RNMBIZMKHJAKGT-HZPDHXFCSA-N

Cite this record

CBID:341297 http://www.chembase.cn/molecule-341297.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-[(3R,5R)-5-(morpholine-4-carbonyl)piperidine-3-carbonyl]-5,6,7,8-tetrahydro-1,6-naphthyridine
IUPAC Traditional name
6-[(3R,5R)-5-(morpholine-4-carbonyl)piperidine-3-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine
Synonyms
6-{[(3R*,5R*)-5-(morpholin-4-ylcarbonyl)piperidin-3-yl]carbonyl}-5,6,7,8-tetrahydro-1,6-naphthyridine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13999954 external link Add to cart
Data Source Data ID Price
ChemBridge
13999954 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -4.004113  LogD (pH = 7.4) -2.505269 
Log P -0.9463772  Molar Refractivity 96.5004 cm3
Polarizability 37.680508 Å3 Polar Surface Area 74.77 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.34  LOG S -1.53 
Polar Surface Area 74.77 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