(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide

C18H24ClN3O2 — CID 7548618

IUPAC(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide
SMILESCC[C@H]1CCCCN1C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H24ClN3O2/c1-2-15-5-3-4-10-21(15)18(24)20-14-11-17(23)22(12-14)16-8-6-13(19)7-9-16/h6-9,14-15H,2-5,10-12H2,1H3,(H,20,24)/t14-,15-/m0/s1
InChIKeySGNOLAVFIQENFJ-GJZGRUSLSA-N
MW349.86 g/mol
LogP3.42
Rot. Bonds3

About (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide

(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide (PubChem CID 7548618) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide
PubChem CID7548618
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide
SMILESCC[C@H]1CCCCN1C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H24ClN3O2/c1-2-15-5-3-4-10-21(15)18(24)20-14-11-17(23)22(12-14)16-8-6-13(19)7-9-16/h6-9,14-15H,2-5,10-12H2,1H3,(H,20,24)/t14-,15-/m0/s1
InChIKeySGNOLAVFIQENFJ-GJZGRUSLSA-N
XLogP3.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-ethyl-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7547783
(2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
CID 7513252
(2R)-2-ethyl-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7546843
(2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7544903
(2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
CID 7513267
N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide
CID 108876535
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-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazin-4-ium-1-carboxamide
CID 7548682
1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113191158
(2R)-N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 7552116

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide?
The IUPAC name of (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide (CID 7548618) is (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide is CC[C@H]1CCCCN1C(=O)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide?
The InChIKey is SGNOLAVFIQENFJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-2-15-5-3-4-10-21(15)18(24)20-14-11-17(23)22(12-14)16-8-6-13(19)7-9-16/h6-9,14-15H,2-5,10-12H2,1H3,(H,20,24)/t14-,15-/m0/s1.
What are the key properties of (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide?
(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide has a molecular weight of 349.86 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 7548618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).