1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride

C18H26BrClN2O — CID 120553583

IUPAC1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1(c2ccc(Br)cc2)CCCC1.Cl
InChIInChI=1S/C18H25BrN2O.ClH/c1-13-12-20-11-8-16(13)21-17(22)18(9-2-3-10-18)14-4-6-15(19)7-5-14;/h4-7,13,16,20H,2-3,8-12H2,1H3,(H,21,22);1H
InChIKeyKBGXJPWSBRTQLX-UHFFFAOYSA-N
MW401.78 g/mol
LogP3.80
Rot. Bonds3

About 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride

1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 120553583) has the molecular formula C18H26BrClN2O and a molecular weight of 401.78 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID120553583
Molecular FormulaC18H26BrClN2O
Molecular Weight401.78 g/mol
Exact Mass400.09
IUPAC Name1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1(c2ccc(Br)cc2)CCCC1.Cl
InChIInChI=1S/C18H25BrN2O.ClH/c1-13-12-20-11-8-16(13)21-17(22)18(9-2-3-10-18)14-4-6-15(19)7-5-14;/h4-7,13,16,20H,2-3,8-12H2,1H3,(H,21,22);1H
InChIKeyKBGXJPWSBRTQLX-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.78
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride 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

1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553584
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120557919
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553378
N-(3-methylpiperidin-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 120555936
1-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120556663
N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide
CID 120555297
1-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 120555475
1-(3,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 120555393
1-(3-fluorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120556704
N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 120554712
1-methyl-N-(3-methylpiperidin-4-yl)-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 120557540
1-(3-bromophenyl)-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119452370

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride (CID 120553583) is 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride is CC1CNCCC1NC(=O)C1(c2ccc(Br)cc2)CCCC1.Cl.
What is the InChIKey of 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is KBGXJPWSBRTQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O.ClH/c1-13-12-20-11-8-16(13)21-17(22)18(9-2-3-10-18)14-4-6-15(19)7-5-14;/h4-7,13,16,20H,2-3,8-12H2,1H3,(H,21,22);1H.
What are the key properties of 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride?
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 401.78 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120553583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).