cyclopentyl-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C23H33NO3 — CID 164626454

IUPACcyclopentyl-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCOc1ccc(C[C@H]2CCOC3(CCN(C(=O)C4CCCC4)CC3)C2)cc1
InChIInChI=1S/C23H33NO3/c1-26-21-8-6-18(7-9-21)16-19-10-15-27-23(17-19)11-13-24(14-12-23)22(25)20-4-2-3-5-20/h6-9,19-20H,2-5,10-17H2,1H3/t19-/m1/s1
InChIKeyOIVMPUIDBYNSER-LJQANCHMSA-N
MW371.52 g/mol
LogP4.22
Rot. Bonds4

About cyclopentyl-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

cyclopentyl-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 164626454) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is cyclopentyl-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID164626454
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Namecyclopentyl-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCOc1ccc(C[C@H]2CCOC3(CCN(C(=O)C4CCCC4)CC3)C2)cc1
InChIInChI=1S/C23H33NO3/c1-26-21-8-6-18(7-9-21)16-19-10-15-27-23(17-19)11-13-24(14-12-23)22(25)20-4-2-3-5-20/h6-9,19-20H,2-5,10-17H2,1H3/t19-/m1/s1
InChIKeyOIVMPUIDBYNSER-LJQANCHMSA-N
XLogP4.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of cyclopentyl-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 164626454) is cyclopentyl-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for cyclopentyl-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for cyclopentyl-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is COc1ccc(C[C@H]2CCOC3(CCN(C(=O)C4CCCC4)CC3)C2)cc1.
What is the InChIKey of cyclopentyl-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is OIVMPUIDBYNSER-LJQANCHMSA-N. The full InChI is InChI=1S/C23H33NO3/c1-26-21-8-6-18(7-9-21)16-19-10-15-27-23(17-19)11-13-24(14-12-23)22(25)20-4-2-3-5-20/h6-9,19-20H,2-5,10-17H2,1H3/t19-/m1/s1.
What are the key properties of cyclopentyl-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
cyclopentyl-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 371.52 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 164626454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).