1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide

C24H31N3O2 — CID 53117240

IUPAC1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)c(C)c1
InChIInChI=1S/C24H31N3O2/c1-17-10-11-21(19(3)14-17)26-23(29)27-13-7-12-24(4,16-27)22(28)25-15-20-9-6-5-8-18(20)2/h5-6,8-11,14H,7,12-13,15-16H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyJAFNDGDFOVSUGL-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.56
Rot. Bonds4

About 1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide

1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 53117240) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
PubChem CID53117240
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)c(C)c1
InChIInChI=1S/C24H31N3O2/c1-17-10-11-21(19(3)14-17)26-23(29)27-13-7-12-24(4,16-27)22(28)25-15-20-9-6-5-8-18(20)2/h5-6,8-11,14H,7,12-13,15-16H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyJAFNDGDFOVSUGL-UHFFFAOYSA-N
XLogP4.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-N-(4-bromo-2-fluorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 93071270
(3R)-3-methyl-1-(3-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087371
(3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087773
(3R)-1-(2,4-dimethylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95088188
3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-(2-methylphenyl)piperidine-1,3-dicarboxamide
CID 53117270
1-N'-(2,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974963
1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117054
(3R)-1-N-(2-methoxyphenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087951
(3R)-3-methyl-N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 95088204
(3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087537
(3R)-1-N-(2,3-dimethylphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 95087885
(3S)-1-N-(3-chloro-2-methylphenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087988

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide (CID 53117240) is 1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide is Cc1ccc(NC(=O)N2CCCC(C)(C(=O)NCc3ccccc3C)C2)c(C)c1.
What is the InChIKey of 1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is JAFNDGDFOVSUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-17-10-11-21(19(3)14-17)26-23(29)27-13-7-12-24(4,16-27)22(28)25-15-20-9-6-5-8-18(20)2/h5-6,8-11,14H,7,12-13,15-16H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of 1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 53117240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).