N-[5-chloro-2-[3-[4-(4-methylbenzoyl)piperazin-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide

C25H29ClN4O3 — CID 143257076

IUPACN-[5-chloro-2-[3-[4-(4-methylbenzoyl)piperazin-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCC(N2CCN(C(=O)c3ccc(C)cc3)CC2)C1
InChIInChI=1S/C25H29ClN4O3/c1-17-3-5-19(6-4-17)24(32)29-13-11-28(12-14-29)21-9-10-30(16-21)25(33)22-8-7-20(26)15-23(22)27-18(2)31/h3-8,15,21H,9-14,16H2,1-2H3,(H,27,31)
InChIKeyVAMKSDMNUNUORY-UHFFFAOYSA-N
MW468.99 g/mol
LogP3.28
Rot. Bonds4

About N-[5-chloro-2-[3-[4-(4-methylbenzoyl)piperazin-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide

N-[5-chloro-2-[3-[4-(4-methylbenzoyl)piperazin-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide (PubChem CID 143257076) has the molecular formula C25H29ClN4O3 and a molecular weight of 468.99 g/mol. Its IUPAC name is N-[5-chloro-2-[3-[4-(4-methylbenzoyl)piperazin-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-[3-[4-(4-methylbenzoyl)piperazin-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
PubChem CID143257076
Molecular FormulaC25H29ClN4O3
Molecular Weight468.99 g/mol
Exact Mass468.19
IUPAC NameN-[5-chloro-2-[3-[4-(4-methylbenzoyl)piperazin-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCC(N2CCN(C(=O)c3ccc(C)cc3)CC2)C1
InChIInChI=1S/C25H29ClN4O3/c1-17-3-5-19(6-4-17)24(32)29-13-11-28(12-14-29)21-9-10-30(16-21)25(33)22-8-7-20(26)15-23(22)27-18(2)31/h3-8,15,21H,9-14,16H2,1-2H3,(H,27,31)
InChIKeyVAMKSDMNUNUORY-UHFFFAOYSA-N
XLogP3.28
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-chloro-2-[3-[4-(4-methylbenzoyl)piperazin-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide 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

[4-[(3S)-1-[3-fluoro-4-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 162582205
(4-chlorocyclohexa-1,3-dien-1-yl)-[3-[4-(4-methylbenzoyl)piperazin-1-yl]pyrrolidin-1-yl]methanone;methanol
CID 143257045
[5-chloro-2-[3-[4-(4-chlorobenzoyl)piperazin-1-yl]pyrrolidin-1-yl]phenyl]urea
CID 123301688
(4-chlorophenyl)-[(3S)-3-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 143257021
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-chlorophenyl)methanone
CID 80552612
N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 20920182
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 35288880
(4-chlorophenyl)-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 143256950
(4-chlorophenyl)-[(3S)-3-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]pyrrolidin-1-yl]methanone
CID 143257056
N-[4-(4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741243
N-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 120997852
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495911

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[3-[4-(4-methylbenzoyl)piperazin-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[5-chloro-2-[3-[4-(4-methylbenzoyl)piperazin-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide (CID 143257076) is N-[5-chloro-2-[3-[4-(4-methylbenzoyl)piperazin-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[5-chloro-2-[3-[4-(4-methylbenzoyl)piperazin-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[5-chloro-2-[3-[4-(4-methylbenzoyl)piperazin-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cc(Cl)ccc1C(=O)N1CCC(N2CCN(C(=O)c3ccc(C)cc3)CC2)C1.
What is the InChIKey of N-[5-chloro-2-[3-[4-(4-methylbenzoyl)piperazin-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide?
The InChIKey is VAMKSDMNUNUORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O3/c1-17-3-5-19(6-4-17)24(32)29-13-11-28(12-14-29)21-9-10-30(16-21)25(33)22-8-7-20(26)15-23(22)27-18(2)31/h3-8,15,21H,9-14,16H2,1-2H3,(H,27,31).
What are the key properties of N-[5-chloro-2-[3-[4-(4-methylbenzoyl)piperazin-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide?
N-[5-chloro-2-[3-[4-(4-methylbenzoyl)piperazin-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide has a molecular weight of 468.99 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[3-[4-(4-methylbenzoyl)piperazin-1-yl]pyrrolidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 143257076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).