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

C21H21ClN2O2 — CID 26574940

IUPACN-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H21ClN2O2/c22-18-8-4-5-9-19(18)23-21(26)17-12-14-24(15-13-17)20(25)11-10-16-6-2-1-3-7-16/h1-11,17H,12-15H2,(H,23,26)/b11-10+
InChIKeyMYZOUCIXDFYZPJ-ZHACJKMWSA-N
MW368.86 g/mol
LogP4.23
Rot. Bonds4

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

N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 26574940) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID26574940
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC NameN-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H21ClN2O2/c22-18-8-4-5-9-19(18)23-21(26)17-12-14-24(15-13-17)20(25)11-10-16-6-2-1-3-7-16/h1-11,17H,12-15H2,(H,23,26)/b11-10+
InChIKeyMYZOUCIXDFYZPJ-ZHACJKMWSA-N
XLogP4.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.23
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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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
1-[(E)-3-phenylprop-2-enoyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46522990
N-(3-chloro-2,6-diethylphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 42999507
1-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide
CID 25478855
N-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 37003937
N-[2-(2-phenylethylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 29441570
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
1-[(E)-3-phenylprop-2-enoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 26500394
1-[(E)-3-phenylprop-2-enoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17491972
N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 30831036
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (CID 26574940) is N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is O=C(Nc1ccccc1Cl)C1CCN(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is MYZOUCIXDFYZPJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c22-18-8-4-5-9-19(18)23-21(26)17-12-14-24(15-13-17)20(25)11-10-16-6-2-1-3-7-16/h1-11,17H,12-15H2,(H,23,26)/b11-10+.
What are the key properties of N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 368.86 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 26574940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).