3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide

C16H22N2O — CID 108903218

IUPAC3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)N/C=C/c2ccccc2)C1
InChIInChI=1S/C16H22N2O/c1-13-10-14(2)12-18(11-13)16(19)17-9-8-15-6-4-3-5-7-15/h3-9,13-14H,10-12H2,1-2H3,(H,17,19)/b9-8+
InChIKeyBRBJKVMXHMTYNX-CMDGGOBGSA-N
MW258.37 g/mol
LogP3.34
Rot. Bonds2

About 3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide

3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide (PubChem CID 108903218) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide
PubChem CID108903218
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)N/C=C/c2ccccc2)C1
InChIInChI=1S/C16H22N2O/c1-13-10-14(2)12-18(11-13)16(19)17-9-8-15-6-4-3-5-7-15/h3-9,13-14H,10-12H2,1-2H3,(H,17,19)/b9-8+
InChIKeyBRBJKVMXHMTYNX-CMDGGOBGSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(E)-2-(4-bromophenyl)ethenyl]-3-methylpiperidine-1-carboxamide
CID 108908820
N-[(E)-2-(4-chlorophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108908321
1-(3,5-dimethylpiperidin-1-yl)-7-phenylhepta-2,6-dien-1-one
CID 57005332
N-[(E)-2-(4-bromophenyl)ethenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108908691
4-(2-fluorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
CID 108903368
N-(2-phenylethenyl)acetamide
CID 54032077
4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide
CID 108907226
4-(3-chlorophenyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide
CID 108903340
1-(3,5-dimethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 2938637
2-phenylethenylcarbamic acid
CID 151881054
3,5-dimethyl-N-(2-methylprop-1-enyl)piperidine-1-carboxamide
CID 108909902
(E)-N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-phenylethenesulfonamide
CID 55347658

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide (CID 108903218) is 3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide is CC1CC(C)CN(C(=O)N/C=C/c2ccccc2)C1.
What is the InChIKey of 3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide?
The InChIKey is BRBJKVMXHMTYNX-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-10-14(2)12-18(11-13)16(19)17-9-8-15-6-4-3-5-7-15/h3-9,13-14H,10-12H2,1-2H3,(H,17,19)/b9-8+.
What are the key properties of 3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide?
3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide has a molecular weight of 258.37 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(E)-2-phenylethenyl]piperidine-1-carboxamide is sourced from PubChem (CID 108903218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).