3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide

C24H30N2O2 — CID 109052346

IUPAC3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C24H30N2O2/c1-16(2)21-10-5-7-18(4)22(21)25-23(27)19-8-6-9-20(15-19)24(28)26-13-11-17(3)12-14-26/h5-10,15-17H,11-14H2,1-4H3,(H,25,27)
InChIKeyCVBSZFVSYGEFEM-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.24
Rot. Bonds4

About 3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide

3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide (PubChem CID 109052346) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
PubChem CID109052346
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C24H30N2O2/c1-16(2)21-10-5-7-18(4)22(21)25-23(27)19-8-6-9-20(15-19)24(28)26-13-11-17(3)12-14-26/h5-10,15-17H,11-14H2,1-4H3,(H,25,27)
InChIKeyCVBSZFVSYGEFEM-UHFFFAOYSA-N
XLogP5.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053559
3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109050480
5-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109227277
N-(3,5-dimethylphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052336
N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052897
3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109052369
3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051247
3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052385
2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109364180
2-(4-ethylpiperazine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109084586
N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052318
3-methyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47195287

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide (CID 109052346) is 3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide is Cc1cccc(C(C)C)c1NC(=O)c1cccc(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of 3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The InChIKey is CVBSZFVSYGEFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-16(2)21-10-5-7-18(4)22(21)25-23(27)19-8-6-9-20(15-19)24(28)26-13-11-17(3)12-14-26/h5-10,15-17H,11-14H2,1-4H3,(H,25,27).
What are the key properties of 3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide has a molecular weight of 378.52 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 109052346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).