(4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one

C19H26N2O2 — CID 51873328

IUPAC(4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(N2C[C@@H](C(=O)N3CCCC[C@@H]3C)CC2=O)c1C
InChIInChI=1S/C19H26N2O2/c1-13-7-6-9-17(15(13)3)21-12-16(11-18(21)22)19(23)20-10-5-4-8-14(20)2/h6-7,9,14,16H,4-5,8,10-12H2,1-3H3/t14-,16-/m0/s1
InChIKeyROHZCJKZGUEITD-HOCLYGCPSA-N
MW314.43 g/mol
LogP3.06
Rot. Bonds2

About (4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one

(4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 51873328) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID51873328
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(N2C[C@@H](C(=O)N3CCCC[C@@H]3C)CC2=O)c1C
InChIInChI=1S/C19H26N2O2/c1-13-7-6-9-17(15(13)3)21-12-16(11-18(21)22)19(23)20-10-5-4-8-14(20)2/h6-7,9,14,16H,4-5,8,10-12H2,1-3H3/t14-,16-/m0/s1
InChIKeyROHZCJKZGUEITD-HOCLYGCPSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-1-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 29262484
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
1-[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 119136682
1-(2,3-dimethylphenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]-5-oxopyrrolidine-3-carboxamide
CID 55717401
(4R)-1-(2,3-dimethylphenyl)-4-[(2R)-2-methylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 37033772
(3R)-1-(2,3-dimethylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 124833954
(4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 92850355
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 46557552
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 119638157
(4S)-1-(2,4-dimethoxyphenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351509
(4R)-1-(2,4-dimethoxyphenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351505
N-[[(3R)-1-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methyl]acetamide
CID 129369520

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 51873328) is (4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one is Cc1cccc(N2C[C@@H](C(=O)N3CCCC[C@@H]3C)CC2=O)c1C.
What is the InChIKey of (4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is ROHZCJKZGUEITD-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13-7-6-9-17(15(13)3)21-12-16(11-18(21)22)19(23)20-10-5-4-8-14(20)2/h6-7,9,14,16H,4-5,8,10-12H2,1-3H3/t14-,16-/m0/s1.
What are the key properties of (4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 314.43 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2,3-dimethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 51873328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).