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N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide

C22H26N2O2 — CID 113006643

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(C(=O)c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-3-17-7-9-20(10-8-17)23-21(25)18-11-13-24(14-12-18)22(26)19-6-4-5-16(2)15-19/h4-10,15,18H,3,11-14H2,1-2H3,(H,23,25)
InChIKeyVOYWLXNKUOIGOL-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.05
Rot. Bonds4

About N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide

N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 113006643) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
PubChem CID113006643
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(C(=O)c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H26N2O2/c1-3-17-7-9-20(10-8-17)23-21(25)18-11-13-24(14-12-18)22(26)19-6-4-5-16(2)15-19/h4-10,15,18H,3,11-14H2,1-2H3,(H,23,25)
InChIKeyVOYWLXNKUOIGOL-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide (CID 113006643) is N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide is CCc1ccc(NC(=O)C2CCN(C(=O)c3cccc(C)c3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is VOYWLXNKUOIGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-17-7-9-20(10-8-17)23-21(25)18-11-13-24(14-12-18)22(26)19-6-4-5-16(2)15-19/h4-10,15,18H,3,11-14H2,1-2H3,(H,23,25).
What are the key properties of N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide?
N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113006643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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