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

C16H23BrN2O — CID 119317256

IUPACN-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide
SMILESCC(C)(Cc1ccc(Br)cc1)NC(=O)C1CCCNC1
InChIInChI=1S/C16H23BrN2O/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)
InChIKeyDBOYCEZZWUTTDP-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.89
Rot. Bonds4

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

N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide (PubChem CID 119317256) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide
PubChem CID119317256
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide
SMILESCC(C)(Cc1ccc(Br)cc1)NC(=O)C1CCCNC1
InChIInChI=1S/C16H23BrN2O/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)
InChIKeyDBOYCEZZWUTTDP-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.89
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;hydrochloride
CID 119317255
N-[1-(4-bromophenyl)-2-methylpropan-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119772728
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119318158
(3S)-N-(2-methylpentan-2-yl)piperidine-3-carboxamide
CID 104862424
N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119337743
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
N-[2-(4-fluorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 110462380
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
CID 43347399
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide (CID 119317256) is N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide is CC(C)(Cc1ccc(Br)cc1)NC(=O)C1CCCNC1.
What is the InChIKey of N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide?
The InChIKey is DBOYCEZZWUTTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/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).
What are the key properties of N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide?
N-[1-(4-bromophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 2.89, 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 is sourced from PubChem (CID 119317256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).