2-[(4-chlorophenyl)methyl]-8-(2,4-dimethylpentan-3-yl)-2,8-diazaspiro[4.5]decan-1-one

C22H33ClN2O — CID 52941888

IUPAC2-[(4-chlorophenyl)methyl]-8-(2,4-dimethylpentan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)C(C(C)C)N1CCC2(CCN(Cc3ccc(Cl)cc3)C2=O)CC1
InChIInChI=1S/C22H33ClN2O/c1-16(2)20(17(3)4)24-12-9-22(10-13-24)11-14-25(21(22)26)15-18-5-7-19(23)8-6-18/h5-8,16-17,20H,9-15H2,1-4H3
InChIKeyWPAPUGIFKNINFW-UHFFFAOYSA-N
MW376.97 g/mol
LogP4.84
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl]-8-(2,4-dimethylpentan-3-yl)-2,8-diazaspiro[4.5]decan-1-one

2-[(4-chlorophenyl)methyl]-8-(2,4-dimethylpentan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 52941888) has the molecular formula C22H33ClN2O and a molecular weight of 376.97 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-8-(2,4-dimethylpentan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-8-(2,4-dimethylpentan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID52941888
Molecular FormulaC22H33ClN2O
Molecular Weight376.97 g/mol
Exact Mass376.23
IUPAC Name2-[(4-chlorophenyl)methyl]-8-(2,4-dimethylpentan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)C(C(C)C)N1CCC2(CCN(Cc3ccc(Cl)cc3)C2=O)CC1
InChIInChI=1S/C22H33ClN2O/c1-16(2)20(17(3)4)24-12-9-22(10-13-24)11-14-25(21(22)26)15-18-5-7-19(23)8-6-18/h5-8,16-17,20H,9-15H2,1-4H3
InChIKeyWPAPUGIFKNINFW-UHFFFAOYSA-N
XLogP4.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.97
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(4-chlorophenyl)methyl]-8-(2,4-dimethylpentan-3-yl)-2,8-diazaspiro[4.5]decan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

Uamc00039
CID 11232124
(S)-2-Amino-4-[(4-chloro-benzyl)-methyl-amino]-1-piperidin-1-yl-butan-1-one
CID 10019118
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127
1-[4-[(3-Chlorophenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742520
1-[4-(2-Chloro-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 773315
3-[4-(4-Chlorobenzyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 580799
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(2-methyl-piperidin-1-yl)-butan-1-one
CID 11359214
2-(4-Chloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone(HCl)
CID 14810963
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(isobutylamino)butan-1-one
CID 25221148
N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851906
Benzamide, N-butyl-4-chloro-N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride, endo-
CID 3075077

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-8-(2,4-dimethylpentan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-8-(2,4-dimethylpentan-3-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 52941888) is 2-[(4-chlorophenyl)methyl]-8-(2,4-dimethylpentan-3-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-8-(2,4-dimethylpentan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-8-(2,4-dimethylpentan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is CC(C)C(C(C)C)N1CCC2(CCN(Cc3ccc(Cl)cc3)C2=O)CC1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-8-(2,4-dimethylpentan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is WPAPUGIFKNINFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN2O/c1-16(2)20(17(3)4)24-12-9-22(10-13-24)11-14-25(21(22)26)15-18-5-7-19(23)8-6-18/h5-8,16-17,20H,9-15H2,1-4H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-8-(2,4-dimethylpentan-3-yl)-2,8-diazaspiro[4.5]decan-1-one?
2-[(4-chlorophenyl)methyl]-8-(2,4-dimethylpentan-3-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 376.97 g/mol, XLogP of 4.84, 5 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-(2,4-dimethylpentan-3-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 52941888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).