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

C15H21BrN2O — CID 48964058

IUPACN-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCCc1ccccc1Br
InChIInChI=1S/C15H21BrN2O/c1-12-6-4-5-11-18(12)15(19)17-10-9-13-7-2-3-8-14(13)16/h2-3,7-8,12H,4-6,9-11H2,1H3,(H,17,19)
InChIKeyYEBGDLHZNIYMCT-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.58
Rot. Bonds3

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

N-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide (PubChem CID 48964058) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide
PubChem CID48964058
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCCc1ccccc1Br
InChIInChI=1S/C15H21BrN2O/c1-12-6-4-5-11-18(12)15(19)17-10-9-13-7-2-3-8-14(13)16/h2-3,7-8,12H,4-6,9-11H2,1H3,(H,17,19)
InChIKeyYEBGDLHZNIYMCT-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 108897902
ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate
CID 48964132
N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 108899463
N-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 86788748
N-[(2-ethoxyphenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 47376286
methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132987
N-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide
CID 115150493
cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 95287116
ethyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132871
trans-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-propan-2-ylcyclohexane-1-carboxamide
CID 71012118
(2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79756204
N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide
CID 60547395

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide (CID 48964058) is N-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide is CC1CCCCN1C(=O)NCCc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide?
The InChIKey is YEBGDLHZNIYMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-12-6-4-5-11-18(12)15(19)17-10-9-13-7-2-3-8-14(13)16/h2-3,7-8,12H,4-6,9-11H2,1H3,(H,17,19).
What are the key properties of N-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide?
N-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 48964058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).