1-[(2S)-1-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one

C24H28ClN3O2 — CID 92616666

IUPAC1-[(2S)-1-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
SMILESC[C@@H](C(=O)N1CCC(c2ccc(Cc3cccc(Cl)c3)cn2)CC1)N1CCCC1=O
InChIInChI=1S/C24H28ClN3O2/c1-17(28-11-3-6-23(28)29)24(30)27-12-9-20(10-13-27)22-8-7-19(16-26-22)14-18-4-2-5-21(25)15-18/h2,4-5,7-8,15-17,20H,3,6,9-14H2,1H3/t17-/m0/s1
InChIKeyAZQLKWBSRAQSOY-KRWDZBQOSA-N
MW425.96 g/mol
LogP4.04
Rot. Bonds5

About 1-[(2S)-1-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one

1-[(2S)-1-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one (PubChem CID 92616666) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 1-[(2S)-1-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-1-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
PubChem CID92616666
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name1-[(2S)-1-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
SMILESC[C@@H](C(=O)N1CCC(c2ccc(Cc3cccc(Cl)c3)cn2)CC1)N1CCCC1=O
InChIInChI=1S/C24H28ClN3O2/c1-17(28-11-3-6-23(28)29)24(30)27-12-9-20(10-13-27)22-8-7-19(16-26-22)14-18-4-2-5-21(25)15-18/h2,4-5,7-8,15-17,20H,3,6,9-14H2,1H3/t17-/m0/s1
InChIKeyAZQLKWBSRAQSOY-KRWDZBQOSA-N
XLogP4.04
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-1-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-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

3-(3-chlorophenyl)-2-methyl-1-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 110093423
[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 92616594
4-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine
CID 110093384
5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one
CID 127250237
(4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 92615288
1-[1-oxo-1-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]propan-2-yl]pyrrolidin-2-one
CID 16669536
spiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110264157
1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one
CID 110093402
1-[2-[(3S)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124956032
1-[1-[3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
CID 110242149
1-[(2R)-1-[(3S)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
CID 92550963
(3S)-N-ethyl-1-[(2R)-2-(2-oxopyrrolidin-1-yl)propanoyl]-3-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592175

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-1-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one (CID 92616666) is 1-[(2S)-1-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-1-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-1-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one is C[C@@H](C(=O)N1CCC(c2ccc(Cc3cccc(Cl)c3)cn2)CC1)N1CCCC1=O.
What is the InChIKey of 1-[(2S)-1-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one?
The InChIKey is AZQLKWBSRAQSOY-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-17(28-11-3-6-23(28)29)24(30)27-12-9-20(10-13-27)22-8-7-19(16-26-22)14-18-4-2-5-21(25)15-18/h2,4-5,7-8,15-17,20H,3,6,9-14H2,1H3/t17-/m0/s1.
What are the key properties of 1-[(2S)-1-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one?
1-[(2S)-1-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one has a molecular weight of 425.96 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 92616666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).