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

C14H19BrN2O — CID 108897902

IUPACN-[(2-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCc1ccccc1Br
InChIInChI=1S/C14H19BrN2O/c1-11-6-4-5-9-17(11)14(18)16-10-12-7-2-3-8-13(12)15/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,16,18)
InChIKeyCXXDLFMGUQFZTP-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.53
Rot. Bonds2

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

N-[(2-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide (PubChem CID 108897902) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
PubChem CID108897902
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[(2-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCc1ccccc1Br
InChIInChI=1S/C14H19BrN2O/c1-11-6-4-5-9-17(11)14(18)16-10-12-7-2-3-8-13(12)15/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,16,18)
InChIKeyCXXDLFMGUQFZTP-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-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide
CID 48964058
N-[(2-ethoxyphenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 47376286
N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 108899463
(2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 95279316
tert-butyl 2-[(2-bromophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 69248323
2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide
CID 60577667
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 47328498
1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 166217241
1-[(2-bromophenyl)methyl]-3-(cyclopentylmethyl)urea
CID 108902673
N-[(2-bromophenyl)methyl]piperazine-1-carboxamide
CID 83559377
2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 49262524

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide (CID 108897902) is N-[(2-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide is CC1CCCCN1C(=O)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide?
The InChIKey is CXXDLFMGUQFZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-11-6-4-5-9-17(11)14(18)16-10-12-7-2-3-8-13(12)15/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,16,18).
What are the key properties of N-[(2-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide?
N-[(2-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-[(2-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 108897902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).