2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide

C22H26N2O2 — CID 86919755

IUPAC2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NC2CCN(C)CC2)cc1C
InChIInChI=1S/C22H26N2O2/c1-15-8-9-17(14-16(15)2)21(25)19-6-4-5-7-20(19)22(26)23-18-10-12-24(3)13-11-18/h4-9,14,18H,10-13H2,1-3H3,(H,23,26)
InChIKeyMGWYIMHBOBEJNC-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.36
Rot. Bonds4

About 2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide

2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 86919755) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID86919755
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide
SMILESCc1ccc(C(=O)c2ccccc2C(=O)NC2CCN(C)CC2)cc1C
InChIInChI=1S/C22H26N2O2/c1-15-8-9-17(14-16(15)2)21(25)19-6-4-5-7-20(19)22(26)23-18-10-12-24(3)13-11-18/h4-9,14,18H,10-13H2,1-3H3,(H,23,26)
InChIKeyMGWYIMHBOBEJNC-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108550857
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide
CID 36936549
4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 54252935
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
3,4-dimethyl-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108557610
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 65306983
(3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725485
N-cyclopropyl-2-(3,4-dimethylphenyl)-2-oxoacetamide
CID 82113873
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
1-[2-(3,4-dimethylbenzoyl)benzoyl]piperidine-4-carboxylic acid
CID 75428699

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide (CID 86919755) is 2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide is Cc1ccc(C(=O)c2ccccc2C(=O)NC2CCN(C)CC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is MGWYIMHBOBEJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15-8-9-17(14-16(15)2)21(25)19-6-4-5-7-20(19)22(26)23-18-10-12-24(3)13-11-18/h4-9,14,18H,10-13H2,1-3H3,(H,23,26).
What are the key properties of 2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide?
2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 350.46 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylbenzoyl)-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 86919755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).