(E)-3-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]prop-2-enamide

C21H22N2O2 — CID 26168361

IUPAC(E)-3-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C21H22N2O2/c24-20(13-12-17-8-3-1-4-9-17)22-19-11-7-10-18(16-19)21(25)23-14-5-2-6-15-23/h1,3-4,7-13,16H,2,5-6,14-15H2,(H,22,24)/b13-12+
InChIKeyLIGJAMVGEFCMLH-OUKQBFOZSA-N
MW334.42 g/mol
LogP3.96
Rot. Bonds4

About (E)-3-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]prop-2-enamide

(E)-3-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]prop-2-enamide (PubChem CID 26168361) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (E)-3-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]prop-2-enamide
PubChem CID26168361
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(E)-3-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C21H22N2O2/c24-20(13-12-17-8-3-1-4-9-17)22-19-11-7-10-18(16-19)21(25)23-14-5-2-6-15-23/h1,3-4,7-13,16H,2,5-6,14-15H2,(H,22,24)/b13-12+
InChIKeyLIGJAMVGEFCMLH-OUKQBFOZSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]prop-2-enamide (CID 26168361) is (E)-3-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccccc1)Nc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of (E)-3-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]prop-2-enamide?
The InChIKey is LIGJAMVGEFCMLH-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-20(13-12-17-8-3-1-4-9-17)22-19-11-7-10-18(16-19)21(25)23-14-5-2-6-15-23/h1,3-4,7-13,16H,2,5-6,14-15H2,(H,22,24)/b13-12+.
What are the key properties of (E)-3-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]prop-2-enamide?
(E)-3-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]prop-2-enamide has a molecular weight of 334.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[3-(piperidine-1-carbonyl)phenyl]prop-2-enamide is sourced from PubChem (CID 26168361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).