N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide

C14H19BrN2O — CID 106738652

IUPACN-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)NCc2ccc(Br)cc2)CCN1
InChIInChI=1S/C14H19BrN2O/c1-10-8-12(6-7-16-10)14(18)17-9-11-2-4-13(15)5-3-11/h2-5,10,12,16H,6-9H2,1H3,(H,17,18)
InChIKeyXPDCEUUMPSUHIU-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.45
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide

N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide (PubChem CID 106738652) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
PubChem CID106738652
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)NCc2ccc(Br)cc2)CCN1
InChIInChI=1S/C14H19BrN2O/c1-10-8-12(6-7-16-10)14(18)17-9-11-2-4-13(15)5-3-11/h2-5,10,12,16H,6-9H2,1H3,(H,17,18)
InChIKeyXPDCEUUMPSUHIU-UHFFFAOYSA-N
XLogP2.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120619607
methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 106739738
2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 106739170
(2S,4S)-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120634706
3-[(4-bromophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549862
(2S,4S)-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633174
(2S,4S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120619401
(2S,4S)-N-[4-(4-bromophenyl)butan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625464
(2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120639837
(2S,4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 120626507

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide (CID 106738652) is N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide is CC1CC(C(=O)NCc2ccc(Br)cc2)CCN1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is XPDCEUUMPSUHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-8-12(6-7-16-10)14(18)17-9-11-2-4-13(15)5-3-11/h2-5,10,12,16H,6-9H2,1H3,(H,17,18).
What are the key properties of N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide?
N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106738652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).