(4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one

C19H26N2O2 — CID 9389079

IUPAC(4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3C)CC2=O)cc1
InChIInChI=1S/C19H26N2O2/c1-3-15-7-9-17(10-8-15)21-13-16(12-18(21)22)19(23)20-11-5-4-6-14(20)2/h7-10,14,16H,3-6,11-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyJPQJNPOIVZHTHA-GOEBONIOSA-N
MW314.43 g/mol
LogP3.00
Rot. Bonds3

About (4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 9389079) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID9389079
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3C)CC2=O)cc1
InChIInChI=1S/C19H26N2O2/c1-3-15-7-9-17(10-8-15)21-13-16(12-18(21)22)19(23)20-11-5-4-6-14(20)2/h7-10,14,16H,3-6,11-13H2,1-2H3/t14-,16+/m0/s1
InChIKeyJPQJNPOIVZHTHA-GOEBONIOSA-N
XLogP3.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-1-(4-fluorophenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 92850355
N-[4-[(4S)-4-[(2R)-2-methylpiperidine-1-carbonyl]-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 27210941
1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 119471488
1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 119650076
(4R)-1-(4-methylphenyl)-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 9375191
1-(4-ethylphenyl)-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119650075
1-(3-chloro-4-fluorophenyl)-4-(2-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17225373
1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 45340293
(3R)-N-cyclopentyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9213773
(4R)-1-(4-ethylphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9389112
(3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6922046
N-cycloheptyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081982

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 9389079) is (4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one is CCc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H]3C)CC2=O)cc1.
What is the InChIKey of (4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is JPQJNPOIVZHTHA-GOEBONIOSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-15-7-9-17(10-8-15)21-13-16(12-18(21)22)19(23)20-11-5-4-6-14(20)2/h7-10,14,16H,3-6,11-13H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of (4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 314.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-ethylphenyl)-4-[(2S)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 9389079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).