1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

C21H25ClN2O — CID 17153034

IUPAC1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H25ClN2O/c1-15(2)16-6-8-19(9-7-16)23-21(25)17-10-12-24(13-11-17)20-5-3-4-18(22)14-20/h3-9,14-15,17H,10-13H2,1-2H3,(H,23,25)
InChIKeyXSFGHXAOUUDYCM-UHFFFAOYSA-N
MW356.90 g/mol
LogP5.32
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 17153034) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID17153034
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H25ClN2O/c1-15(2)16-6-8-19(9-7-16)23-21(25)17-10-12-24(13-11-17)20-5-3-4-18(22)14-20/h3-9,14-15,17H,10-13H2,1-2H3,(H,23,25)
InChIKeyXSFGHXAOUUDYCM-UHFFFAOYSA-N
XLogP5.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.90
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17152909
1-(3-chlorophenyl)-N-[4-(ethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17153132
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
1-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17152720
N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152865
N-(3,5-dichlorophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152302
N-(4-chloro-2,5-dimethoxyphenyl)-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17153018
1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 17153136
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144515
1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide
CID 46428935
1-(3-chlorophenyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 17153110

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (CID 17153034) is 1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is CC(C)c1ccc(NC(=O)C2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is XSFGHXAOUUDYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-15(2)16-6-8-19(9-7-16)23-21(25)17-10-12-24(13-11-17)20-5-3-4-18(22)14-20/h3-9,14-15,17H,10-13H2,1-2H3,(H,23,25).
What are the key properties of 1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 356.90 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17153034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).