2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one

C20H27ClN2O — CID 72852011

IUPAC2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C3CCCC3)CC2)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN2O/c21-17-7-5-16(6-8-17)14-23-15-20(13-19(23)24)9-11-22(12-10-20)18-3-1-2-4-18/h5-8,18H,1-4,9-15H2
InChIKeyVNVCVAWCOWRWDB-UHFFFAOYSA-N
MW346.90 g/mol
LogP4.10
Rot. Bonds3

About 2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one

2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72852011) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72852011
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C3CCCC3)CC2)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN2O/c21-17-7-5-16(6-8-17)14-23-15-20(13-19(23)24)9-11-22(12-10-20)18-3-1-2-4-18/h5-8,18H,1-4,9-15H2
InChIKeyVNVCVAWCOWRWDB-UHFFFAOYSA-N
XLogP4.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl]-8-[[(2R)-1-methylpiperidin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97276894
2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-methylpropyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70783678
2-[(3,5-difluorophenyl)methyl]-8-piperidin-3-yl-2,8-diazaspiro[4.5]decan-3-one;dihydrochloride
CID 154897760
methyl 2-[[2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate
CID 70748143
butyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 72881410
2-[(4-chlorophenyl)methyl]-8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154897310
2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72841661
2-[(4-chlorophenyl)methyl]-8-[6-(dimethylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 72842368
2-[[4-[4-(hydroxymethyl)phenyl]phenyl]methyl]-2-azaspiro[4.5]decan-3-one
CID 70301564
2-[(3,4-difluorophenyl)methyl]-8-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70728701
1-[(4-chlorophenyl)methyl]-4-cycloheptylpiperazine;oxalic acid
CID 17366730
2-cyclopentyl-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45214580

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one (CID 72852011) is 2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(C3CCCC3)CC2)CN1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is VNVCVAWCOWRWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O/c21-17-7-5-16(6-8-17)14-23-15-20(13-19(23)24)9-11-22(12-10-20)18-3-1-2-4-18/h5-8,18H,1-4,9-15H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one?
2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 346.90 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-8-cyclopentyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72852011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).