1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide

C23H26Cl2N2O2 — CID 1003994

IUPAC1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C23H26Cl2N2O2/c1-23(2,3)17-6-4-16(5-7-17)22(29)27-12-10-15(11-13-27)21(28)26-18-8-9-19(24)20(25)14-18/h4-9,14-15H,10-13H2,1-3H3,(H,26,28)
InChIKeyUZGSSWKNTHCJOJ-UHFFFAOYSA-N
MW433.38 g/mol
LogP5.78
Rot. Bonds3

About 1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide

1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide (PubChem CID 1003994) has the molecular formula C23H26Cl2N2O2 and a molecular weight of 433.38 g/mol. Its IUPAC name is 1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
PubChem CID1003994
Molecular FormulaC23H26Cl2N2O2
Molecular Weight433.38 g/mol
Exact Mass432.14
IUPAC Name1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C23H26Cl2N2O2/c1-23(2,3)17-6-4-16(5-7-17)22(29)27-12-10-15(11-13-27)21(28)26-18-8-9-19(24)20(25)14-18/h4-9,14-15H,10-13H2,1-3H3,(H,26,28)
InChIKeyUZGSSWKNTHCJOJ-UHFFFAOYSA-N
XLogP5.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.38
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylbenzoyl)-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 113006485
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 126059758
N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 113006982
1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006650
1-(4-tert-butylbenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 126057580
N-(3-chloro-4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007389
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
N-(3,4-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044373
1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 113008225
1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 113008513
1-(4-bromobenzoyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 2192257

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide (CID 1003994) is 1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide is CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of 1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
The InChIKey is UZGSSWKNTHCJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O2/c1-23(2,3)17-6-4-16(5-7-17)22(29)27-12-10-15(11-13-27)21(28)26-18-8-9-19(24)20(25)14-18/h4-9,14-15H,10-13H2,1-3H3,(H,26,28).
What are the key properties of 1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide has a molecular weight of 433.38 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 1003994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).