N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide

C23H27ClN2O2 — CID 113005012

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)cc1C
InChIInChI=1S/C23H27ClN2O2/c1-16-3-6-20(15-17(16)2)23(28)26-13-10-19(11-14-26)22(27)25-12-9-18-4-7-21(24)8-5-18/h3-8,15,19H,9-14H2,1-2H3,(H,25,27)
InChIKeyGRFWTTGMHAXCCL-UHFFFAOYSA-N
MW398.93 g/mol
LogP4.17
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide (PubChem CID 113005012) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
PubChem CID113005012
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)cc1C
InChIInChI=1S/C23H27ClN2O2/c1-16-3-6-20(15-17(16)2)23(28)26-13-10-19(11-14-26)22(27)25-12-9-18-4-7-21(24)8-5-18/h3-8,15,19H,9-14H2,1-2H3,(H,25,27)
InChIKeyGRFWTTGMHAXCCL-UHFFFAOYSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113003438
1-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 110795075
N-[2-(3-chlorophenyl)ethyl]-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113005954
N-(4-chloro-2-methylphenyl)-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113007282
N-[2-(4-chlorophenyl)ethyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
CID 134801850
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide
CID 110350748
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110344066
1-(3,4-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006649
N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 4072850

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide (CID 113005012) is N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide is Cc1ccc(C(=O)N2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)cc1C.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide?
The InChIKey is GRFWTTGMHAXCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-16-3-6-20(15-17(16)2)23(28)26-13-10-19(11-14-26)22(27)25-12-9-18-4-7-21(24)8-5-18/h3-8,15,19H,9-14H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide has a molecular weight of 398.93 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113005012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).