2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide

C21H24N2O2S — CID 39510378

IUPAC2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide
SMILESCSc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C21H24N2O2S/c1-15-5-3-4-6-19(15)20(24)22-17-11-13-23(14-12-17)21(25)16-7-9-18(26-2)10-8-16/h3-10,17H,11-14H2,1-2H3,(H,22,24)
InChIKeyOJIUPHGGPOTMBY-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.75
Rot. Bonds4

About 2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide

2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide (PubChem CID 39510378) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide
PubChem CID39510378
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide
SMILESCSc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C21H24N2O2S/c1-15-5-3-4-6-19(15)20(24)22-17-11-13-23(14-12-17)21(25)16-7-9-18(26-2)10-8-16/h3-10,17H,11-14H2,1-2H3,(H,22,24)
InChIKeyOJIUPHGGPOTMBY-UHFFFAOYSA-N
XLogP3.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 39510641
2-methyl-N-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 46465302
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820250
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554659
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 108557671
2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108550857
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide
CID 108556830
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide (CID 39510378) is 2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide is CSc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)cc1.
What is the InChIKey of 2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide?
The InChIKey is OJIUPHGGPOTMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-15-5-3-4-6-19(15)20(24)22-17-11-13-23(14-12-17)21(25)16-7-9-18(26-2)10-8-16/h3-10,17H,11-14H2,1-2H3,(H,22,24).
What are the key properties of 2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide?
2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide has a molecular weight of 368.50 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 39510378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).