N-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide

C14H19BrN2O — CID 47074748

IUPACN-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide
SMILESCCN1CCCCC1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c1-2-17-10-4-3-5-13(17)14(18)16-12-8-6-11(15)7-9-12/h6-9,13H,2-5,10H2,1H3,(H,16,18)
InChIKeySOMLGRCFDFKAJK-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.26
Rot. Bonds3

About N-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide

N-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide (PubChem CID 47074748) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide
PubChem CID47074748
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide
SMILESCCN1CCCCC1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c1-2-17-10-4-3-5-13(17)14(18)16-12-8-6-11(15)7-9-12/h6-9,13H,2-5,10H2,1H3,(H,16,18)
InChIKeySOMLGRCFDFKAJK-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475
2-(2-acetylpiperidin-1-yl)-N-(4-bromophenyl)acetamide
CID 63844823
N-(4-bromophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655150
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
1-(4-bromophenyl)sulfonyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 24617132
2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide
CID 87362352
N-(4-acetamidophenyl)-1-hydroxypiperidine-2-carboxamide
CID 110194301
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859688
4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144381
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61010278

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide (CID 47074748) is N-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide is CCN1CCCCC1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide?
The InChIKey is SOMLGRCFDFKAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-2-17-10-4-3-5-13(17)14(18)16-12-8-6-11(15)7-9-12/h6-9,13H,2-5,10H2,1H3,(H,16,18).
What are the key properties of N-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide?
N-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-ethylpiperidine-2-carboxamide is sourced from PubChem (CID 47074748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).