N-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

C30H31N3O3 — CID 29441570

IUPACN-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C30H31N3O3/c34-28(16-15-23-9-3-1-4-10-23)33-21-18-25(19-22-33)29(35)32-27-14-8-7-13-26(27)30(36)31-20-17-24-11-5-2-6-12-24/h1-16,25H,17-22H2,(H,31,36)(H,32,35)/b16-15+
InChIKeyJQGNMFJVKWBGEX-FOCLMDBBSA-N
MW481.60 g/mol
LogP4.55
Rot. Bonds8

About N-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

N-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 29441570) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID29441570
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC NameN-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C30H31N3O3/c34-28(16-15-23-9-3-1-4-10-23)33-21-18-25(19-22-33)29(35)32-27-14-8-7-13-26(27)30(36)31-20-17-24-11-5-2-6-12-24/h1-16,25H,17-22H2,(H,31,36)(H,32,35)/b16-15+
InChIKeyJQGNMFJVKWBGEX-FOCLMDBBSA-N
XLogP4.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 37003937
1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 4930342
N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26574940
1-[(E)-3-phenylprop-2-enoyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 24644222
N'-[2-(4-fluorophenyl)acetyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide
CID 43005507
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
(2R)-N-(2-phenylethyl)-6-[(E)-3-phenylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42501832
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
1-[(E)-3-phenylprop-2-enoyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidine-4-carboxamide
CID 30539816
1-[(E)-3-phenylprop-2-enoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17491972
1-[(E)-3-phenylprop-2-enoyl]-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 46693006

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (CID 29441570) is N-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is O=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is JQGNMFJVKWBGEX-FOCLMDBBSA-N. The full InChI is InChI=1S/C30H31N3O3/c34-28(16-15-23-9-3-1-4-10-23)33-21-18-25(19-22-33)29(35)32-27-14-8-7-13-26(27)30(36)31-20-17-24-11-5-2-6-12-24/h1-16,25H,17-22H2,(H,31,36)(H,32,35)/b16-15+.
What are the key properties of N-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
N-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 29441570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).