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

(1R,3S)-3-methoxy-7-[1-(2-methoxyethyl)piperidine-4-carbonyl]-3-methyl-7-azaspiro[3.5]nonan-1-ol

ChemBase ID: 866266
Molecular Formular: C19H34N2O4
Molecular Mass: 354.48426
Monoisotopic Mass: 354.25185758
SMILES and InChIs

SMILES:
C12([C@](C[C@H]1O)(OC)C)CCN(C(=O)C1CCN(CC1)CCOC)CC2
Canonical SMILES:
COCCN1CCC(CC1)C(=O)N1CCC2(CC1)[C@H](O)C[C@]2(C)OC
InChI:
InChI=1S/C19H34N2O4/c1-18(25-3)14-16(22)19(18)6-10-21(11-7-19)17(23)15-4-8-20(9-5-15)12-13-24-2/h15-16,22H,4-14H2,1-3H3/t16-,18+/m1/s1
InChIKey:
YASULKXHJWEMSO-AEFFLSMTSA-N

Cite this record

CBID:866266 http://www.chembase.cn/molecule-866266.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R,3S)-3-methoxy-7-[1-(2-methoxyethyl)piperidine-4-carbonyl]-3-methyl-7-azaspiro[3.5]nonan-1-ol
IUPAC Traditional name
(1R,3S)-3-methoxy-7-[1-(2-methoxyethyl)piperidine-4-carbonyl]-3-methyl-7-azaspiro[3.5]nonan-1-ol
Synonyms
(1R*,3S*)-3-methoxy-7-{[1-(2-methoxyethyl)-4-piperidinyl]carbonyl}-3-methyl-7-azaspiro[3.5]nonan-1-ol

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66827380 external link Add to cart
Data Source Data ID Price
ChemBridge
66827380 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 14.6647  H Acceptors
H Donor LogD (pH = 5.5) -3.3580713 
LogD (pH = 7.4) -1.6514643  Log P -0.33572373 
Molar Refractivity 97.3704 cm3 Polarizability 38.295906 Å3
Polar Surface Area 62.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.38  LOG S -2.11 
Polar Surface Area 62.24 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