N-[(E)-2-(4-bromophenyl)ethenyl]-3-methylpiperidine-1-carboxamide

C15H19BrN2O — CID 108908820

IUPACN-[(E)-2-(4-bromophenyl)ethenyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)N/C=C/c2ccc(Br)cc2)C1
InChIInChI=1S/C15H19BrN2O/c1-12-3-2-10-18(11-12)15(19)17-9-8-13-4-6-14(16)7-5-13/h4-9,12H,2-3,10-11H2,1H3,(H,17,19)/b9-8+
InChIKeyNFZKVADKWWSUCT-CMDGGOBGSA-N
MW323.23 g/mol
LogP3.86
Rot. Bonds2

About N-[(E)-2-(4-bromophenyl)ethenyl]-3-methylpiperidine-1-carboxamide

N-[(E)-2-(4-bromophenyl)ethenyl]-3-methylpiperidine-1-carboxamide (PubChem CID 108908820) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-[(E)-2-(4-bromophenyl)ethenyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(4-bromophenyl)ethenyl]-3-methylpiperidine-1-carboxamide
PubChem CID108908820
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-[(E)-2-(4-bromophenyl)ethenyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)N/C=C/c2ccc(Br)cc2)C1
InChIInChI=1S/C15H19BrN2O/c1-12-3-2-10-18(11-12)15(19)17-9-8-13-4-6-14(16)7-5-13/h4-9,12H,2-3,10-11H2,1H3,(H,17,19)/b9-8+
InChIKeyNFZKVADKWWSUCT-CMDGGOBGSA-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-(4-bromophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108908691
3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide
CID 108903218
2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 875891
N-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide
CID 108911412
N-[(E)-2-(4-bromophenyl)ethenyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 108908969
N-[(E)-2-(4-fluorophenyl)ethenyl]azepane-1-carboxamide
CID 108908063
N-[(E)-2-(4-bromophenyl)ethenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108908901
(3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide
CID 40635770
N-[(E)-2-(4-chlorophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108908321
(E)-3-(4-methoxyphenyl)-1-[(3R)-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 898049
N-[(E)-2-(2-bromophenyl)ethenyl]-4-methylpiperidine-1-carboxamide
CID 108904972
2-[1-[3-(4-bromophenyl)prop-2-enylcarbamoyl]piperidin-3-yl]acetic acid
CID 154744122

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-bromophenyl)ethenyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(E)-2-(4-bromophenyl)ethenyl]-3-methylpiperidine-1-carboxamide (CID 108908820) is N-[(E)-2-(4-bromophenyl)ethenyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(E)-2-(4-bromophenyl)ethenyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(E)-2-(4-bromophenyl)ethenyl]-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)N/C=C/c2ccc(Br)cc2)C1.
What is the InChIKey of N-[(E)-2-(4-bromophenyl)ethenyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is NFZKVADKWWSUCT-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-12-3-2-10-18(11-12)15(19)17-9-8-13-4-6-14(16)7-5-13/h4-9,12H,2-3,10-11H2,1H3,(H,17,19)/b9-8+.
What are the key properties of N-[(E)-2-(4-bromophenyl)ethenyl]-3-methylpiperidine-1-carboxamide?
N-[(E)-2-(4-bromophenyl)ethenyl]-3-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-(4-bromophenyl)ethenyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 108908820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).