(3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide

C19H27ClN4O2 — CID 92750593

IUPAC(3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
SMILESCCN1CCN(CCNC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1
InChIInChI=1S/C19H27ClN4O2/c1-2-22-11-13-23(14-12-22)10-8-21-18(25)17-7-9-24(19(17)26)16-5-3-15(20)4-6-16/h3-6,17H,2,7-14H2,1H3,(H,21,25)/t17-/m0/s1
InChIKeyOVDKOLDWTHWDDQ-KRWDZBQOSA-N
MW378.90 g/mol
LogP1.45
Rot. Bonds6

About (3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide

(3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 92750593) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is (3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID92750593
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC Name(3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
SMILESCCN1CCN(CCNC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1
InChIInChI=1S/C19H27ClN4O2/c1-2-22-11-13-23(14-12-22)10-8-21-18(25)17-7-9-24(19(17)26)16-5-3-15(20)4-6-16/h3-6,17H,2,7-14H2,1H3,(H,21,25)/t17-/m0/s1
InChIKeyOVDKOLDWTHWDDQ-KRWDZBQOSA-N
XLogP1.45
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 46347377
(3S)-1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 92765110
1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 20964236
1-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-2-oxopyrrolidine-3-carboxamide
CID 20964259
(3S)-1-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-2-oxopyrrolidine-3-carboxamide
CID 92725776
1-(4-chlorophenyl)-N-(2-ethyl-2-hydroxybutyl)-2-oxopyrrolidine-3-carboxamide
CID 111483243
(3R)-1-(4-chlorophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 95056108
(3S)-1-(4-chlorophenyl)-N-ethoxy-2-oxopyrrolidine-3-carboxamide
CID 94211690
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797712
1-(4-chlorophenyl)-N-(2-hydroxy-2,3-dimethylbutyl)-2-oxopyrrolidine-3-carboxamide
CID 111483766
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797741
1-(4-chlorophenyl)-2-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 46048874

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide (CID 92750593) is (3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide is CCN1CCN(CCNC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1.
What is the InChIKey of (3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is OVDKOLDWTHWDDQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27ClN4O2/c1-2-22-11-13-23(14-12-22)10-8-21-18(25)17-7-9-24(19(17)26)16-5-3-15(20)4-6-16/h3-6,17H,2,7-14H2,1H3,(H,21,25)/t17-/m0/s1.
What are the key properties of (3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 378.90 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92750593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).