(2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide

C18H25N3O2 — CID 7513252

IUPAC(2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCC[C@H]1CCCCN1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H25N3O2/c1-2-15-8-6-7-11-20(15)18(23)19-14-12-17(22)21(13-14)16-9-4-3-5-10-16/h3-5,9-10,14-15H,2,6-8,11-13H2,1H3,(H,19,23)/t14-,15+/m1/s1
InChIKeyPCJFSRFOKGJDOG-CABCVRRESA-N
MW315.42 g/mol
LogP2.77
Rot. Bonds3

About (2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide

(2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 7513252) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID7513252
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCC[C@H]1CCCCN1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H25N3O2/c1-2-15-8-6-7-11-20(15)18(23)19-14-12-17(22)21(13-14)16-9-4-3-5-10-16/h3-5,9-10,14-15H,2,6-8,11-13H2,1H3,(H,19,23)/t14-,15+/m1/s1
InChIKeyPCJFSRFOKGJDOG-CABCVRRESA-N
XLogP2.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide
CID 7548618
(2R)-2-ethyl-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7547783
(2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
CID 7513267
(2R)-2-ethyl-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7546843
N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide
CID 108876535
(2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7544903
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 43969537
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 43970748
N-cyclopentyl-2-ethylpiperidine-1-carboxamide
CID 17174323
1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513394
N-(5-oxo-1-phenylpyrrolidin-3-yl)-3-phenylpyrrolidine-1-carboxamide
CID 71882274
1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide
CID 7209085

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of (2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide (CID 7513252) is (2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide is CC[C@H]1CCCCN1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is PCJFSRFOKGJDOG-CABCVRRESA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-15-8-6-7-11-20(15)18(23)19-14-12-17(22)21(13-14)16-9-4-3-5-10-16/h3-5,9-10,14-15H,2,6-8,11-13H2,1H3,(H,19,23)/t14-,15+/m1/s1.
What are the key properties of (2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide?
(2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 7513252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).