1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide

C26H25ClN2O3 — CID 4202434

IUPAC1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)C3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2)cc1
InChIInChI=1S/C26H25ClN2O3/c1-18-4-12-23(13-5-18)32-24-14-10-22(11-15-24)28-25(30)20-3-2-16-29(17-20)26(31)19-6-8-21(27)9-7-19/h4-15,20H,2-3,16-17H2,1H3,(H,28,30)
InChIKeyOMNPGXLCWXGPRN-UHFFFAOYSA-N
MW448.95 g/mol
LogP5.93
Rot. Bonds5

About 1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide (PubChem CID 4202434) has the molecular formula C26H25ClN2O3 and a molecular weight of 448.95 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
PubChem CID4202434
Molecular FormulaC26H25ClN2O3
Molecular Weight448.95 g/mol
Exact Mass448.16
IUPAC Name1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)C3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2)cc1
InChIInChI=1S/C26H25ClN2O3/c1-18-4-12-23(13-5-18)32-24-14-10-22(11-15-24)28-25(30)20-3-2-16-29(17-20)26(31)19-6-8-21(27)9-7-19/h4-15,20H,2-3,16-17H2,1H3,(H,28,30)
InChIKeyOMNPGXLCWXGPRN-UHFFFAOYSA-N
XLogP5.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
N-[4-(3-carbamoylphenoxy)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 166364664
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 25162245
1-(4-chlorobenzoyl)-N-[4-[2-(diethylamino)ethoxy]phenyl]piperidine-3-carboxamide
CID 55527967
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
(3S)-1-(4-chlorobenzoyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]piperidine-3-carboxamide
CID 41134061
N-[4-(dimethylamino)-3-methylphenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55652132
1-(4-methylbenzoyl)-N-[4-(sulfamoylmethyl)phenyl]piperidine-3-carboxamide
CID 55626981

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide (CID 4202434) is 1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide is Cc1ccc(Oc2ccc(NC(=O)C3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2)cc1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide?
The InChIKey is OMNPGXLCWXGPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O3/c1-18-4-12-23(13-5-18)32-24-14-10-22(11-15-24)28-25(30)20-3-2-16-29(17-20)26(31)19-6-8-21(27)9-7-19/h4-15,20H,2-3,16-17H2,1H3,(H,28,30).
What are the key properties of 1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide has a molecular weight of 448.95 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 4202434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).