N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide

C21H31ClN4O2 — CID 86899023

IUPACN-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)NCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H31ClN4O2/c22-18-7-3-8-19(15-18)26-13-11-25(12-14-26)10-4-9-23-20(27)16-24-21(28)17-5-1-2-6-17/h3,7-8,15,17H,1-2,4-6,9-14,16H2,(H,23,27)(H,24,28)
InChIKeyXOMPJYGPCVMYBB-UHFFFAOYSA-N
MW406.96 g/mol
LogP2.27
Rot. Bonds8

About N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide

N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 86899023) has the molecular formula C21H31ClN4O2 and a molecular weight of 406.96 g/mol. Its IUPAC name is N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide
PubChem CID86899023
Molecular FormulaC21H31ClN4O2
Molecular Weight406.96 g/mol
Exact Mass406.21
IUPAC NameN-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)NCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H31ClN4O2/c22-18-7-3-8-19(15-18)26-13-11-25(12-14-26)10-4-9-23-20(27)16-24-21(28)17-5-1-2-6-17/h3,7-8,15,17H,1-2,4-6,9-14,16H2,(H,23,27)(H,24,28)
InChIKeyXOMPJYGPCVMYBB-UHFFFAOYSA-N
XLogP2.27
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.96
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide 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

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidine-3-carboxamide
CID 119902990
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide
CID 38440971
N-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide
CID 86878613
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
N-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide
CID 11442899
N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclopropanecarboxamide
CID 51114169
2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
CID 119902978
1-ethylsulfonyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]piperidine-4-carboxamide
CID 55671400
(2S)-2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]butanamide;trihydrochloride
CID 119902983
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 122176670
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 10571609

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide (CID 86899023) is N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide is O=C(CNC(=O)C1CCCC1)NCCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide?
The InChIKey is XOMPJYGPCVMYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN4O2/c22-18-7-3-8-19(15-18)26-13-11-25(12-14-26)10-4-9-23-20(27)16-24-21(28)17-5-1-2-6-17/h3,7-8,15,17H,1-2,4-6,9-14,16H2,(H,23,27)(H,24,28).
What are the key properties of N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide?
N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 406.96 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylamino]-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 86899023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).