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

C26H31N3O3 — CID 37003937

IUPACN-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C26H31N3O3/c1-19(2)18-27-26(32)22-10-6-7-11-23(22)28-25(31)21-14-16-29(17-15-21)24(30)13-12-20-8-4-3-5-9-20/h3-13,19,21H,14-18H2,1-2H3,(H,27,32)(H,28,31)/b13-12+
InChIKeyGIFSHGQIACKPLU-OUKQBFOZSA-N
MW433.55 g/mol
LogP3.96
Rot. Bonds7

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

N-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 37003937) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID37003937
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C26H31N3O3/c1-19(2)18-27-26(32)22-10-6-7-11-23(22)28-25(31)21-14-16-29(17-15-21)24(30)13-12-20-8-4-3-5-9-20/h3-13,19,21H,14-18H2,1-2H3,(H,27,32)(H,28,31)/b13-12+
InChIKeyGIFSHGQIACKPLU-OUKQBFOZSA-N
XLogP3.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.96
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-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 29441570
ethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 34729529
N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26574940
N-(3-methylbutyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26637084
1-[(E)-3-phenylprop-2-enoyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46522990
1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132650704
N-[2-(2-methylpropylcarbamoyl)phenyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 34727869
2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide
CID 51230497
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782
1-[(2,4-dichlorophenyl)methyl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43923491
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
N-(5-ethyl-1H-pyrazol-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 48507742

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (CID 37003937) is N-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is CC(C)CNC(=O)c1ccccc1NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is GIFSHGQIACKPLU-OUKQBFOZSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-19(2)18-27-26(32)22-10-6-7-11-23(22)28-25(31)21-14-16-29(17-15-21)24(30)13-12-20-8-4-3-5-9-20/h3-13,19,21H,14-18H2,1-2H3,(H,27,32)(H,28,31)/b13-12+.
What are the key properties of N-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
N-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 37003937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).