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

C22H25ClN2O2 — CID 9293494

IUPAC1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1cccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H25ClN2O2/c1-15(2)18-4-3-5-20(14-18)24-21(26)16-10-12-25(13-11-16)22(27)17-6-8-19(23)9-7-17/h3-9,14-16H,10-13H2,1-2H3,(H,24,26)
InChIKeyGSKHWRXMRMRELU-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.95
Rot. Bonds4

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

1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 9293494) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID9293494
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1cccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C22H25ClN2O2/c1-15(2)18-4-3-5-20(14-18)24-21(26)16-10-12-25(13-11-16)22(27)17-6-8-19(23)9-7-17/h3-9,14-16H,10-13H2,1-2H3,(H,24,26)
InChIKeyGSKHWRXMRMRELU-UHFFFAOYSA-N
XLogP4.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 9411138
1-(4-methylbenzoyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006809
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43000360
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213
N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1072800
4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 60848284
1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 1003994

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide (CID 9293494) is 1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide is CC(C)c1cccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is GSKHWRXMRMRELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-15(2)18-4-3-5-20(14-18)24-21(26)16-10-12-25(13-11-16)22(27)17-6-8-19(23)9-7-17/h3-9,14-16H,10-13H2,1-2H3,(H,24,26).
What are the key properties of 1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 9293494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).