N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride

C16H24BrClN2O — CID 119317255

IUPACN-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)(Cc1ccc(Br)cc1)NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-16(2,10-12-5-7-14(17)8-6-12)19-15(20)13-4-3-9-18-11-13;/h5-8,13,18H,3-4,9-11H2,1-2H3,(H,19,20);1H
InChIKeyIUCDOMUGDGTEGG-UHFFFAOYSA-N
MW375.74 g/mol
LogP3.31
Rot. Bonds4

About N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride

N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119317255) has the molecular formula C16H24BrClN2O and a molecular weight of 375.74 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride
PubChem CID119317255
Molecular FormulaC16H24BrClN2O
Molecular Weight375.74 g/mol
Exact Mass374.08
IUPAC NameN-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCC(C)(Cc1ccc(Br)cc1)NC(=O)C1CCCNC1.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-16(2,10-12-5-7-14(17)8-6-12)19-15(20)13-4-3-9-18-11-13;/h5-8,13,18H,3-4,9-11H2,1-2H3,(H,19,20);1H
InChIKeyIUCDOMUGDGTEGG-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide
CID 119317256
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119318158
N-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119772728
N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119337743
(3S)-N-(2-methylpentan-2-yl)piperidine-3-carboxamide
CID 104862424
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119734902
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
CID 119334163
N-[2-(4-fluorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 110462380
N-[1-(4-bromophenyl)cyclobutyl]piperidine-3-carboxamide;hydrochloride
CID 119298991
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride (CID 119317255) is N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride is CC(C)(Cc1ccc(Br)cc1)NC(=O)C1CCCNC1.Cl.
What is the InChIKey of N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is IUCDOMUGDGTEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O.ClH/c1-16(2,10-12-5-7-14(17)8-6-12)19-15(20)13-4-3-9-18-11-13;/h5-8,13,18H,3-4,9-11H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride?
N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 375.74 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119317255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).