2-cyclopentyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C21H30N2O4 — CID 70728353

IUPAC2-cyclopentyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOc1coc(CN2CCCC3(CCC(=O)N(C4CCCC4)C3)C2)cc1=O
InChIInChI=1S/C21H30N2O4/c1-26-19-13-27-17(11-18(19)24)12-22-10-4-8-21(14-22)9-7-20(25)23(15-21)16-5-2-3-6-16/h11,13,16H,2-10,12,14-15H2,1H3
InChIKeyCOIPNKBRPCMHEG-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.80
Rot. Bonds4

About 2-cyclopentyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-cyclopentyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70728353) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-cyclopentyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopentyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70728353
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name2-cyclopentyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOc1coc(CN2CCCC3(CCC(=O)N(C4CCCC4)C3)C2)cc1=O
InChIInChI=1S/C21H30N2O4/c1-26-19-13-27-17(11-18(19)24)12-22-10-4-8-21(14-22)9-7-20(25)23(15-21)16-5-2-3-6-16/h11,13,16H,2-10,12,14-15H2,1H3
InChIKeyCOIPNKBRPCMHEG-UHFFFAOYSA-N
XLogP2.80
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopentyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70728353) is 2-cyclopentyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopentyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopentyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is COc1coc(CN2CCCC3(CCC(=O)N(C4CCCC4)C3)C2)cc1=O.
What is the InChIKey of 2-cyclopentyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is COIPNKBRPCMHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-26-19-13-27-17(11-18(19)24)12-22-10-4-8-21(14-22)9-7-20(25)23(15-21)16-5-2-3-6-16/h11,13,16H,2-10,12,14-15H2,1H3.
What are the key properties of 2-cyclopentyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopentyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 374.48 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70728353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).