N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride

C15H22BrClN2O — CID 119341127

IUPACN-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
SMILESCC(Cc1ccccc1Br)NC(=O)C1CCCCN1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-11(10-12-6-2-3-7-13(12)16)18-15(19)14-8-4-5-9-17-14;/h2-3,6-7,11,14,17H,4-5,8-10H2,1H3,(H,18,19);1H
InChIKeyNSJHORNABVUHOW-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.06
Rot. Bonds4

About N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride

N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119341127) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
PubChem CID119341127
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC NameN-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
SMILESCC(Cc1ccccc1Br)NC(=O)C1CCCCN1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-11(10-12-6-2-3-7-13(12)16)18-15(19)14-8-4-5-9-17-14;/h2-3,6-7,11,14,17H,4-5,8-10H2,1H3,(H,18,19);1H
InChIKeyNSJHORNABVUHOW-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 103808999
N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 60927015
N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119262921
N-[1-(2-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119814306
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914385
N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119298778
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119295645
N-[(1S)-1-(2-bromophenyl)ethyl]azepane-2-carboxamide
CID 81397881
(4S)-N-[(2S)-1-(2-bromophenyl)propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 97087809
N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119321004
N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119341100
N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119308681

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride (CID 119341127) is N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride is CC(Cc1ccccc1Br)NC(=O)C1CCCCN1.Cl.
What is the InChIKey of N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is NSJHORNABVUHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O.ClH/c1-11(10-12-6-2-3-7-13(12)16)18-15(19)14-8-4-5-9-17-14;/h2-3,6-7,11,14,17H,4-5,8-10H2,1H3,(H,18,19);1H.
What are the key properties of N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride?
N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 361.71 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119341127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).