N-[(E)-2-(2-bromophenyl)ethenyl]-4-methylpiperidine-1-carboxamide

C15H19BrN2O — CID 108904972

IUPACN-[(E)-2-(2-bromophenyl)ethenyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)N/C=C/c2ccccc2Br)CC1
InChIInChI=1S/C15H19BrN2O/c1-12-7-10-18(11-8-12)15(19)17-9-6-13-4-2-3-5-14(13)16/h2-6,9,12H,7-8,10-11H2,1H3,(H,17,19)/b9-6+
InChIKeyVIQSICPMKMVQIC-RMKNXTFCSA-N
MW323.23 g/mol
LogP3.86
Rot. Bonds2

About N-[(E)-2-(2-bromophenyl)ethenyl]-4-methylpiperidine-1-carboxamide

N-[(E)-2-(2-bromophenyl)ethenyl]-4-methylpiperidine-1-carboxamide (PubChem CID 108904972) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-[(E)-2-(2-bromophenyl)ethenyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(2-bromophenyl)ethenyl]-4-methylpiperidine-1-carboxamide
PubChem CID108904972
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-[(E)-2-(2-bromophenyl)ethenyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)N/C=C/c2ccccc2Br)CC1
InChIInChI=1S/C15H19BrN2O/c1-12-7-10-18(11-8-12)15(19)17-9-6-13-4-2-3-5-14(13)16/h2-6,9,12H,7-8,10-11H2,1H3,(H,17,19)/b9-6+
InChIKeyVIQSICPMKMVQIC-RMKNXTFCSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(E)-2-(2-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108905179
N-[(E)-2-(2-bromophenyl)ethenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108905249
N-[(E)-2-(2-bromophenyl)ethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 108905155
3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide
CID 108903218
N-[(E)-2-(4-bromophenyl)ethenyl]-3-methylpiperidine-1-carboxamide
CID 108908820
N-[(E)-2-cyclopentylethenyl]-4-methylpiperidine-1-carboxamide
CID 108911659
2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 112991009
N-(2-bromophenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972470
1-(3-aminopyrrolidin-1-yl)-3-(2-bromophenyl)prop-2-en-1-one;hydrochloride
CID 126781859
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-(2,3-dihydro-1H-inden-2-yl)-4-methylpiperidine-1-carboxamide
CID 104694688
(3R)-1-[(Z)-3-(2-bromophenyl)prop-2-enoyl]pyrrolidine-3-carboxamide
CID 97456076

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(2-bromophenyl)ethenyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(E)-2-(2-bromophenyl)ethenyl]-4-methylpiperidine-1-carboxamide (CID 108904972) is N-[(E)-2-(2-bromophenyl)ethenyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(E)-2-(2-bromophenyl)ethenyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(E)-2-(2-bromophenyl)ethenyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)N/C=C/c2ccccc2Br)CC1.
What is the InChIKey of N-[(E)-2-(2-bromophenyl)ethenyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is VIQSICPMKMVQIC-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-12-7-10-18(11-8-12)15(19)17-9-6-13-4-2-3-5-14(13)16/h2-6,9,12H,7-8,10-11H2,1H3,(H,17,19)/b9-6+.
What are the key properties of N-[(E)-2-(2-bromophenyl)ethenyl]-4-methylpiperidine-1-carboxamide?
N-[(E)-2-(2-bromophenyl)ethenyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 323.23 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2-bromophenyl)ethenyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 108904972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).