4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide

C22H26N2O — CID 108907226

IUPAC4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide
SMILESCc1ccc(/C=C/NC(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O/c1-18-7-9-19(10-8-18)11-14-23-22(25)24-15-12-21(13-16-24)17-20-5-3-2-4-6-20/h2-11,14,21H,12-13,15-17H2,1H3,(H,23,25)/b14-11+
InChIKeySKYAAYZWMZHUAA-SDNWHVSQSA-N
MW334.46 g/mol
LogP4.63
Rot. Bonds4

About 4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide

4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide (PubChem CID 108907226) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide
PubChem CID108907226
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide
SMILESCc1ccc(/C=C/NC(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O/c1-18-7-9-19(10-8-18)11-14-23-22(25)24-15-12-21(13-16-24)17-20-5-3-2-4-6-20/h2-11,14,21H,12-13,15-17H2,1H3,(H,23,25)/b14-11+
InChIKeySKYAAYZWMZHUAA-SDNWHVSQSA-N
XLogP4.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-5-(4-benzylpiperidin-1-yl)-1-(4-methylphenyl)pent-1-en-3-one
CID 59803282
4-benzyl-N-(cyclopentylidenemethyl)piperidine-1-carboxamide
CID 108913486
4-benzyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 113214035
4-[(3-methylphenyl)methyl]-N-[(E)-2-phenylethenyl]sulfonylpiperidine-1-carboxamide
CID 22750837
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
(E)-3-(4-aminophenyl)-1-(4-benzylpiperidin-1-yl)prop-2-en-1-one
CID 84552569
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone
CID 108996770
1-(4-benzylpiperidin-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 887161
1-(4-benzylpiperidin-1-yl)-4-(4-methylphenoxy)butan-1-one
CID 124749146

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide (CID 108907226) is 4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide is Cc1ccc(/C=C/NC(=O)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide?
The InChIKey is SKYAAYZWMZHUAA-SDNWHVSQSA-N. The full InChI is InChI=1S/C22H26N2O/c1-18-7-9-19(10-8-18)11-14-23-22(25)24-15-12-21(13-16-24)17-20-5-3-2-4-6-20/h2-11,14,21H,12-13,15-17H2,1H3,(H,23,25)/b14-11+.
What are the key properties of 4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide?
4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide is sourced from PubChem (CID 108907226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).