1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide

C23H26N2O3 — CID 42925478

IUPAC1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide
SMILESCCOc1ccccc1/C=C/C(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C23H26N2O3/c1-2-28-21-13-7-6-9-18(21)14-15-22(26)25-16-8-10-19(17-25)23(27)24-20-11-4-3-5-12-20/h3-7,9,11-15,19H,2,8,10,16-17H2,1H3,(H,24,27)/b15-14+
InChIKeyWKWABVOZNZKKJE-CCEZHUSRSA-N
MW378.47 g/mol
LogP3.98
Rot. Bonds6

About 1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide

1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 42925478) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide
PubChem CID42925478
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide
SMILESCCOc1ccccc1/C=C/C(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C23H26N2O3/c1-2-28-21-13-7-6-9-18(21)14-15-22(26)25-16-8-10-19(17-25)23(27)24-20-11-4-3-5-12-20/h3-7,9,11-15,19H,2,8,10,16-17H2,1H3,(H,24,27)/b15-14+
InChIKeyWKWABVOZNZKKJE-CCEZHUSRSA-N
XLogP3.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 102603213
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
(E)-3-(2-ethoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 115966340
1-[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide
CID 24612704
ethyl 1-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]piperidine-3-carboxylate
CID 55527912
1-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 24637985
1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 47987033
(3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide
CID 7435314
(E)-3-(2-ethoxyphenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)prop-2-en-1-one
CID 115874518
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
N-(3-methyl-2-pyridinyl)-1-[(E)-3-naphthalen-1-ylprop-2-enoyl]piperidine-3-carboxamide
CID 55895162
1-(azepan-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 4506724

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide (CID 42925478) is 1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide is CCOc1ccccc1/C=C/C(=O)N1CCCC(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is WKWABVOZNZKKJE-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-2-28-21-13-7-6-9-18(21)14-15-22(26)25-16-8-10-19(17-25)23(27)24-20-11-4-3-5-12-20/h3-7,9,11-15,19H,2,8,10,16-17H2,1H3,(H,24,27)/b15-14+.
What are the key properties of 1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide?
1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42925478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).