1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride

C21H34ClN3O — CID 119393940

IUPAC1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCc1cccc(C2(C(=O)NCCCN3CCNCC3)CCCCC2)c1.Cl
InChIInChI=1S/C21H33N3O.ClH/c1-18-7-5-8-19(17-18)21(9-3-2-4-10-21)20(25)23-11-6-14-24-15-12-22-13-16-24;/h5,7-8,17,22H,2-4,6,9-16H2,1H3,(H,23,25);1H
InChIKeyGHORRRSVXNHWFL-UHFFFAOYSA-N
MW379.98 g/mol
LogP3.03
Rot. Bonds6

About 1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride

1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119393940) has the molecular formula C21H34ClN3O and a molecular weight of 379.98 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119393940
Molecular FormulaC21H34ClN3O
Molecular Weight379.98 g/mol
Exact Mass379.24
IUPAC Name1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCc1cccc(C2(C(=O)NCCCN3CCNCC3)CCCCC2)c1.Cl
InChIInChI=1S/C21H33N3O.ClH/c1-18-7-5-8-19(17-18)21(9-3-2-4-10-21)20(25)23-11-6-14-24-15-12-22-13-16-24;/h5,7-8,17,22H,2-4,6,9-16H2,1H3,(H,23,25);1H
InChIKeyGHORRRSVXNHWFL-UHFFFAOYSA-N
XLogP3.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.98
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
CID 119393727
1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119447484
1-phenyl-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide
CID 119448297
4-[[1-(3-methylphenyl)cyclopentanecarbonyl]amino]butanoic acid
CID 119170628
1-(3-methylphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]cyclopropane-1-carboxamide
CID 56818462
1-(4-fluorophenyl)-N-(3-piperazin-1-ylpropyl)cyclopropane-1-carboxamide
CID 119394382
1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119558765
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 119507604
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]cyclopentane-1-carboxamide
CID 55679606
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 120888205

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride (CID 119393940) is 1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride is Cc1cccc(C2(C(=O)NCCCN3CCNCC3)CCCCC2)c1.Cl.
What is the InChIKey of 1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is GHORRRSVXNHWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O.ClH/c1-18-7-5-8-19(17-18)21(9-3-2-4-10-21)20(25)23-11-6-14-24-15-12-22-13-16-24;/h5,7-8,17,22H,2-4,6,9-16H2,1H3,(H,23,25);1H.
What are the key properties of 1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride?
1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 379.98 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119393940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).