N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide

C14H19BrN2O — CID 108899463

IUPACN-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c1-11-4-2-3-9-17(11)14(18)16-10-12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,16,18)
InChIKeyBSBHNYBILAKWLY-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.53
Rot. Bonds2

About N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide

N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide (PubChem CID 108899463) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
PubChem CID108899463
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c1-11-4-2-3-9-17(11)14(18)16-10-12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,16,18)
InChIKeyBSBHNYBILAKWLY-UHFFFAOYSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 108897902
2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide
CID 60577667
1-[(4-bromophenyl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781705
N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108518109
2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 49262524
N-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide
CID 48964058
2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 47328498
N-[(4-fluorophenyl)methyl]-2-methylpiperidine-1-carbothioamide
CID 17380928
5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 62074188
2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 108520273
(2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 95279316
N-[(2-ethoxyphenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 47376286

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide (CID 108899463) is N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide is CC1CCCCN1C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide?
The InChIKey is BSBHNYBILAKWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-11-4-2-3-9-17(11)14(18)16-10-12-5-7-13(15)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,16,18).
What are the key properties of N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide?
N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 108899463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).