2-(2-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopropane-1-carboxamide

C25H32ClN3O — CID 55662076

IUPAC2-(2-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopropane-1-carboxamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)C3CC3c3ccccc3Cl)CC2)c1
InChIInChI=1S/C25H32ClN3O/c1-19-7-6-8-20(17-19)29-15-13-28(14-16-29)12-5-4-11-27-25(30)23-18-22(23)21-9-2-3-10-24(21)26/h2-3,6-10,17,22-23H,4-5,11-16,18H2,1H3,(H,27,30)
InChIKeyUAQSFJJBFSTARD-UHFFFAOYSA-N
MW426.00 g/mol
LogP4.47
Rot. Bonds8

About 2-(2-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopropane-1-carboxamide (PubChem CID 55662076) has the molecular formula C25H32ClN3O and a molecular weight of 426.00 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopropane-1-carboxamide
PubChem CID55662076
Molecular FormulaC25H32ClN3O
Molecular Weight426.00 g/mol
Exact Mass425.22
IUPAC Name2-(2-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopropane-1-carboxamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)C3CC3c3ccccc3Cl)CC2)c1
InChIInChI=1S/C25H32ClN3O/c1-19-7-6-8-20(17-19)29-15-13-28(14-16-29)12-5-4-11-27-25(30)23-18-22(23)21-9-2-3-10-24(21)26/h2-3,6-10,17,22-23H,4-5,11-16,18H2,1H3,(H,27,30)
InChIKeyUAQSFJJBFSTARD-UHFFFAOYSA-N
XLogP4.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.00
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide
CID 78832067
2-chloro-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 38441075
2-methyl-N-[3-[4-[4-(3-methylphenyl)piperazin-1-yl]butylamino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 55662153
[2-(2-chlorophenyl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51292364
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide
CID 38440971
1-ethylsulfonyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]piperidine-4-carboxamide
CID 55671400
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55522273
2-methyl-1-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine;hydroiodide
CID 75532336
1-acetyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]piperidine-3-carboxamide
CID 42959855
2-chloro-N-[1-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-1-oxopropan-2-yl]benzamide
CID 55652300
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 38441347

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopropane-1-carboxamide (CID 55662076) is 2-(2-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopropane-1-carboxamide is Cc1cccc(N2CCN(CCCCNC(=O)C3CC3c3ccccc3Cl)CC2)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopropane-1-carboxamide?
The InChIKey is UAQSFJJBFSTARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O/c1-19-7-6-8-20(17-19)29-15-13-28(14-16-29)12-5-4-11-27-25(30)23-18-22(23)21-9-2-3-10-24(21)26/h2-3,6-10,17,22-23H,4-5,11-16,18H2,1H3,(H,27,30).
What are the key properties of 2-(2-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopropane-1-carboxamide has a molecular weight of 426.00 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55662076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).