1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride

C19H29BrClN3O — CID 119447484

IUPAC1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)C1(c2cccc(Br)c2)CCCCC1
InChIInChI=1S/C19H28BrN3O.ClH/c20-17-6-4-5-16(15-17)19(7-2-1-3-8-19)18(24)22-11-14-23-12-9-21-10-13-23;/h4-6,15,21H,1-3,7-14H2,(H,22,24);1H
InChIKeyDBNMZCIQCJCMQD-UHFFFAOYSA-N
MW430.82 g/mol
LogP3.09
Rot. Bonds5

About 1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride

1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119447484) has the molecular formula C19H29BrClN3O and a molecular weight of 430.82 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119447484
Molecular FormulaC19H29BrClN3O
Molecular Weight430.82 g/mol
Exact Mass429.12
IUPAC Name1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)C1(c2cccc(Br)c2)CCCCC1
InChIInChI=1S/C19H28BrN3O.ClH/c20-17-6-4-5-16(15-17)19(7-2-1-3-8-19)18(24)22-11-14-23-12-9-21-10-13-23;/h4-6,15,21H,1-3,7-14H2,(H,22,24);1H
InChIKeyDBNMZCIQCJCMQD-UHFFFAOYSA-N
XLogP3.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.82
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide
CID 119448297
1-(3-methylphenyl)-N-(3-piperazin-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119393940
1-phenyl-N-(3-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
CID 119393727
1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452370
[1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401763
1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534
1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide
CID 120827705
1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide
CID 120652825
1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]cyclopropane-1-carboxamide
CID 134034350
2-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
CID 119448623
1-(3-bromophenyl)-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 134062174
N-[2-(4-aminophenyl)ethyl]-1-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119548478

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride (CID 119447484) is 1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)C1(c2cccc(Br)c2)CCCCC1.
What is the InChIKey of 1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is DBNMZCIQCJCMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrN3O.ClH/c20-17-6-4-5-16(15-17)19(7-2-1-3-8-19)18(24)22-11-14-23-12-9-21-10-13-23;/h4-6,15,21H,1-3,7-14H2,(H,22,24);1H.
What are the key properties of 1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 430.82 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119447484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).