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

C21H23ClN2O — CID 166626879

IUPACN-(3-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H23ClN2O/c22-19-9-4-10-20(16-19)23-21(25)18-11-14-24(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-10,16,18H,11-15H2,(H,23,25)/b8-5+
InChIKeySKLOIBQTUCOSJT-VMPITWQZSA-N
MW354.88 g/mol
LogP4.70
Rot. Bonds5

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

N-(3-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide (PubChem CID 166626879) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide
PubChem CID166626879
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC NameN-(3-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H23ClN2O/c22-19-9-4-10-20(16-19)23-21(25)18-11-14-24(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-10,16,18H,11-15H2,(H,23,25)/b8-5+
InChIKeySKLOIBQTUCOSJT-VMPITWQZSA-N
XLogP4.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
1-(1-benzylpiperidin-4-yl)-3-(3-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 6071298
1-[(E)-4-amino-4-oxobut-2-enyl]-N-phenylpiperidine-4-carboxamide
CID 154726171
1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
CID 170153363
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
(E)-3-(3-chlorophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]prop-2-en-1-one
CID 6058638
1-[(E)-3-phenylprop-2-enyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45229650
2-[5-[(3-chlorophenyl)carbamoyl]-2-oxopiperidin-1-yl]acetic acid
CID 143538428
1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 99826811

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide (CID 166626879) is N-(3-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide is O=C(Nc1cccc(Cl)c1)C1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide?
The InChIKey is SKLOIBQTUCOSJT-VMPITWQZSA-N. The full InChI is InChI=1S/C21H23ClN2O/c22-19-9-4-10-20(16-19)23-21(25)18-11-14-24(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-10,16,18H,11-15H2,(H,23,25)/b8-5+.
What are the key properties of N-(3-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide?
N-(3-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide has a molecular weight of 354.88 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide is sourced from PubChem (CID 166626879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).