N-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-4-carboxamide

C25H32N2O — CID 1343459

IUPACN-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(C/C(C)=C/c2ccccc2)CC1
InChIInChI=1S/C25H32N2O/c1-3-27(20-23-12-8-5-9-13-23)25(28)24-14-16-26(17-15-24)19-21(2)18-22-10-6-4-7-11-22/h4-13,18,24H,3,14-17,19-20H2,1-2H3/b21-18+
InChIKeyMBIIIFSRYUUYMB-DYTRJAOYSA-N
MW376.54 g/mol
LogP4.85
Rot. Bonds7

About N-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-4-carboxamide

N-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-4-carboxamide (PubChem CID 1343459) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-4-carboxamide
PubChem CID1343459
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC NameN-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(C/C(C)=C/c2ccccc2)CC1
InChIInChI=1S/C25H32N2O/c1-3-27(20-23-12-8-5-9-13-23)25(28)24-14-16-26(17-15-24)19-21(2)18-22-10-6-4-7-11-22/h4-13,18,24H,3,14-17,19-20H2,1-2H3/b21-18+
InChIKeyMBIIIFSRYUUYMB-DYTRJAOYSA-N
XLogP4.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Acetamide, N,N-bis(phenylmethyl)-
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CID 116119
AI3-37156
CID 897567
N,N'-dibenzyl-N,N'-diethylpropanediamide
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N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide hydrochloride
CID 10019926
N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide hydrochloride
CID 14553502
N-{2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl}-N-methylbenzamide hydrochloride
CID 14553604
N-methyl-N-(2-{1-[(2-methylphenyl)methyl]piperidin-4-yl}ethyl)benzamide hydrochloride
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N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide hydrochloride
CID 14783892

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-4-carboxamide (CID 1343459) is N-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)C1CCN(C/C(C)=C/c2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-4-carboxamide?
The InChIKey is MBIIIFSRYUUYMB-DYTRJAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c1-3-27(20-23-12-8-5-9-13-23)25(28)24-14-16-26(17-15-24)19-21(2)18-22-10-6-4-7-11-22/h4-13,18,24H,3,14-17,19-20H2,1-2H3/b21-18+.
What are the key properties of N-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-4-carboxamide?
N-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-4-carboxamide has a molecular weight of 376.54 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidine-4-carboxamide is sourced from PubChem (CID 1343459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).