1-(3-chlorophenyl)-5-oxo-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide

C21H21ClN4O3 — CID 46473693

IUPAC1-(3-chlorophenyl)-5-oxo-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)C3CC(=O)N(c4cccc(Cl)c4)C3)cc2)CCN1
InChIInChI=1S/C21H21ClN4O3/c22-15-2-1-3-18(11-15)26-12-14(10-20(26)28)21(29)24-16-4-6-17(7-5-16)25-9-8-23-19(27)13-25/h1-7,11,14H,8-10,12-13H2,(H,23,27)(H,24,29)
InChIKeyHPDWUOUVSHCZRY-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.27
Rot. Bonds4

About 1-(3-chlorophenyl)-5-oxo-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide

1-(3-chlorophenyl)-5-oxo-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 46473693) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-oxo-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-oxo-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide
PubChem CID46473693
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC Name1-(3-chlorophenyl)-5-oxo-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)C3CC(=O)N(c4cccc(Cl)c4)C3)cc2)CCN1
InChIInChI=1S/C21H21ClN4O3/c22-15-2-1-3-18(11-15)26-12-14(10-20(26)28)21(29)24-16-4-6-17(7-5-16)25-9-8-23-19(27)13-25/h1-7,11,14H,8-10,12-13H2,(H,23,27)(H,24,29)
InChIKeyHPDWUOUVSHCZRY-UHFFFAOYSA-N
XLogP2.27
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-(3-chlorophenyl)-5-oxo-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187439
1-(3-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55582549
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
4-[[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9004855
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062
1-(4-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187469
(3S)-N-(3-chlorophenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 678914
1-(3-chlorophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42953054
1-(3-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188155
(3S)-1-(3-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 124529025
1-[4-[[(3S)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]piperidine-4-carboxamide
CID 52909375
(3S)-N-(4-butoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529015

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-oxo-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-oxo-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide (CID 46473693) is 1-(3-chlorophenyl)-5-oxo-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-oxo-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-oxo-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide is O=C1CN(c2ccc(NC(=O)C3CC(=O)N(c4cccc(Cl)c4)C3)cc2)CCN1.
What is the InChIKey of 1-(3-chlorophenyl)-5-oxo-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is HPDWUOUVSHCZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c22-15-2-1-3-18(11-15)26-12-14(10-20(26)28)21(29)24-16-4-6-17(7-5-16)25-9-8-23-19(27)13-25/h1-7,11,14H,8-10,12-13H2,(H,23,27)(H,24,29).
What are the key properties of 1-(3-chlorophenyl)-5-oxo-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide?
1-(3-chlorophenyl)-5-oxo-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 412.88 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-oxo-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46473693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).