N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide

C16H23BrN2O — CID 63130128

IUPACN-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)NC(C)c2ccccc2Br)CCCNC1
InChIInChI=1S/C16H23BrN2O/c1-3-16(9-6-10-18-11-16)15(20)19-12(2)13-7-4-5-8-14(13)17/h4-5,7-8,12,18H,3,6,9-11H2,1-2H3,(H,19,20)
InChIKeyZZTQLCGYAADTNW-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.41
Rot. Bonds4

About N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide

N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide (PubChem CID 63130128) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide
PubChem CID63130128
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)NC(C)c2ccccc2Br)CCCNC1
InChIInChI=1S/C16H23BrN2O/c1-3-16(9-6-10-18-11-16)15(20)19-12(2)13-7-4-5-8-14(13)17/h4-5,7-8,12,18H,3,6,9-11H2,1-2H3,(H,19,20)
InChIKeyZZTQLCGYAADTNW-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139495
3-ethyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 63132202
3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 63141842
3-ethyl-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 81407453
3-ethyl-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 63130581
3-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 63130877
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 81379266
N-[cyclopropyl(phenyl)methyl]-3-ethylpiperidine-3-carboxamide
CID 63131063
N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 63141717
1-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 81379420
1-amino-N-[1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119269431
3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81409107

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide (CID 63130128) is N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide is CCC1(C(=O)NC(C)c2ccccc2Br)CCCNC1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide?
The InChIKey is ZZTQLCGYAADTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-3-16(9-6-10-18-11-16)15(20)19-12(2)13-7-4-5-8-14(13)17/h4-5,7-8,12,18H,3,6,9-11H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide?
N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 63130128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).