N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide

C15H21BrN2O — CID 106740388

IUPACN-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)C1CCNC(C)C1
InChIInChI=1S/C15H21BrN2O/c1-3-11-9-13(16)4-5-14(11)18-15(19)12-6-7-17-10(2)8-12/h4-5,9-10,12,17H,3,6-8H2,1-2H3,(H,18,19)
InChIKeyUEMWYUAOIIHAHA-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.34
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide

N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide (PubChem CID 106740388) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide
PubChem CID106740388
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)C1CCNC(C)C1
InChIInChI=1S/C15H21BrN2O/c1-3-11-9-13(16)4-5-14(11)18-15(19)12-6-7-17-10(2)8-12/h4-5,9-10,12,17H,3,6-8H2,1-2H3,(H,18,19)
InChIKeyUEMWYUAOIIHAHA-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromo-2-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 81288944
N-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide
CID 106739102
(2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620445
(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623124
N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide
CID 81003495
(2S,4S)-N-[2-[(dimethylamino)methyl]-4-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636792
N-(4-bromo-2-ethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703922
3-bromo-4-[(2-methylpiperidine-4-carbonyl)amino]benzoic acid
CID 106740129
(2S,4S)-N-(2-bromo-4,5-diethoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120625061
(2S,4S)-N-(2-benzylphenyl)-2-methylpiperidine-4-carboxamide
CID 120616695
(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120622248
(2S,4S)-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide
CID 120629339

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide (CID 106740388) is N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide is CCc1cc(Br)ccc1NC(=O)C1CCNC(C)C1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is UEMWYUAOIIHAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-3-11-9-13(16)4-5-14(11)18-15(19)12-6-7-17-10(2)8-12/h4-5,9-10,12,17H,3,6-8H2,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide?
N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106740388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).