1-(3,4-dimethoxybenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide

C22H26N2O4 — CID 1079976

IUPAC1-(3,4-dimethoxybenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3C)CC2)cc1OC
InChIInChI=1S/C22H26N2O4/c1-15-6-4-5-7-18(15)23-21(25)16-10-12-24(13-11-16)22(26)17-8-9-19(27-2)20(14-17)28-3/h4-9,14,16H,10-13H2,1-3H3,(H,23,25)
InChIKeyWNJOVJDLLZATKZ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.50
Rot. Bonds5

About 1-(3,4-dimethoxybenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide

1-(3,4-dimethoxybenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide (PubChem CID 1079976) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-(3,4-dimethoxybenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxybenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
PubChem CID1079976
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-(3,4-dimethoxybenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3C)CC2)cc1OC
InChIInChI=1S/C22H26N2O4/c1-15-6-4-5-7-18(15)23-21(25)16-10-12-24(13-11-16)22(26)17-8-9-19(27-2)20(14-17)28-3/h4-9,14,16H,10-13H2,1-3H3,(H,23,25)
InChIKeyWNJOVJDLLZATKZ-UHFFFAOYSA-N
XLogP3.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(3,4-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
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(4-(2-Methoxyphenyl)-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone
CID 28757
3,4,5-Trimethoxybenzanilide
CID 305103
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxybenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethoxybenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide (CID 1079976) is 1-(3,4-dimethoxybenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxybenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxybenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide is COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3C)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxybenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide?
The InChIKey is WNJOVJDLLZATKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15-6-4-5-7-18(15)23-21(25)16-10-12-24(13-11-16)22(26)17-8-9-19(27-2)20(14-17)28-3/h4-9,14,16H,10-13H2,1-3H3,(H,23,25).
What are the key properties of 1-(3,4-dimethoxybenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide?
1-(3,4-dimethoxybenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxybenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 1079976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).