1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide

C22H26N2O2 — CID 113006126

IUPAC1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-15-5-4-6-20(13-15)23-21(25)18-9-11-24(12-10-18)22(26)19-8-7-16(2)17(3)14-19/h4-8,13-14,18H,9-12H2,1-3H3,(H,23,25)
InChIKeyKXYVZFWQIRMHRP-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.10
Rot. Bonds3

About 1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide

1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide (PubChem CID 113006126) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
PubChem CID113006126
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C22H26N2O2/c1-15-5-4-6-20(13-15)23-21(25)18-9-11-24(12-10-18)22(26)19-8-7-16(2)17(3)14-19/h4-8,13-14,18H,9-12H2,1-3H3,(H,23,25)
InChIKeyKXYVZFWQIRMHRP-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006439
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
1-(2,6-dimethoxybenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006125
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-(3,4-dimethylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006649
1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide
CID 110350748
N-(2,6-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006519
1-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 113006445
N-(3,4-difluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008987
N-(4-chloro-2-methylphenyl)-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113007282

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide (CID 113006126) is 1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c1.
What is the InChIKey of 1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
The InChIKey is KXYVZFWQIRMHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15-5-4-6-20(13-15)23-21(25)18-9-11-24(12-10-18)22(26)19-8-7-16(2)17(3)14-19/h4-8,13-14,18H,9-12H2,1-3H3,(H,23,25).
What are the key properties of 1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide?
1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113006126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).