N-[1-(4-bromophenyl)cyclobutyl]piperidine-3-carboxamide;hydrochloride

C16H22BrClN2O — CID 119298991

IUPACN-[1-(4-bromophenyl)cyclobutyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1(c2ccc(Br)cc2)CCC1)C1CCCNC1
InChIInChI=1S/C16H21BrN2O.ClH/c17-14-6-4-13(5-7-14)16(8-2-9-16)19-15(20)12-3-1-10-18-11-12;/h4-7,12,18H,1-3,8-11H2,(H,19,20);1H
InChIKeyRAQHLVGNPWDOPQ-UHFFFAOYSA-N
MW373.72 g/mol
LogP3.37
Rot. Bonds3

About N-[1-(4-bromophenyl)cyclobutyl]piperidine-3-carboxamide;hydrochloride

N-[1-(4-bromophenyl)cyclobutyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119298991) has the molecular formula C16H22BrClN2O and a molecular weight of 373.72 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)cyclobutyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)cyclobutyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119298991
Molecular FormulaC16H22BrClN2O
Molecular Weight373.72 g/mol
Exact Mass372.06
IUPAC NameN-[1-(4-bromophenyl)cyclobutyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1(c2ccc(Br)cc2)CCC1)C1CCCNC1
InChIInChI=1S/C16H21BrN2O.ClH/c17-14-6-4-13(5-7-14)16(8-2-9-16)19-15(20)12-3-1-10-18-11-12;/h4-7,12,18H,1-3,8-11H2,(H,19,20);1H
InChIKeyRAQHLVGNPWDOPQ-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.72
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)cyclopropyl]piperidine-3-carboxamide
CID 110462377
N-[1-(4-fluorophenyl)cyclobutyl]cyclopropanecarboxamide
CID 47408173
N-(1-phenylcyclobutyl)piperidine-4-carboxamide
CID 110482320
(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356
N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119317255
(3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide
CID 28992192
N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide
CID 119301112
(3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide
CID 81135195
N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide
CID 119317256
N-(1-ethylcyclobutyl)piperidine-3-carboxamide
CID 115734414
1-(4-bromophenyl)sulfonyl-N-(1-phenylcyclobutyl)piperidine-3-carboxamide
CID 134036653
N-[1-(4-fluorophenyl)cyclobutyl]pyrrolidine-2-carboxamide
CID 110461393

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)cyclobutyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(4-bromophenyl)cyclobutyl]piperidine-3-carboxamide;hydrochloride (CID 119298991) is N-[1-(4-bromophenyl)cyclobutyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(4-bromophenyl)cyclobutyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(4-bromophenyl)cyclobutyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(NC1(c2ccc(Br)cc2)CCC1)C1CCCNC1.
What is the InChIKey of N-[1-(4-bromophenyl)cyclobutyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is RAQHLVGNPWDOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O.ClH/c17-14-6-4-13(5-7-14)16(8-2-9-16)19-15(20)12-3-1-10-18-11-12;/h4-7,12,18H,1-3,8-11H2,(H,19,20);1H.
What are the key properties of N-[1-(4-bromophenyl)cyclobutyl]piperidine-3-carboxamide;hydrochloride?
N-[1-(4-bromophenyl)cyclobutyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 373.72 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)cyclobutyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119298991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).