(3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide

C22H33N3O2 — CID 95087773

IUPAC(3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1ccccc1CNC(=O)[C@]1(C)CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C22H33N3O2/c1-17-9-6-7-10-18(17)15-23-20(26)22(2)13-8-14-25(16-22)21(27)24-19-11-4-3-5-12-19/h6-7,9-10,19H,3-5,8,11-16H2,1-2H3,(H,23,26)(H,24,27)/t22-/m1/s1
InChIKeyJUYMGZAJJHDZPU-JOCHJYFZSA-N
MW371.53 g/mol
LogP3.76
Rot. Bonds4

About (3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide

(3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 95087773) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is (3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
PubChem CID95087773
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name(3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1ccccc1CNC(=O)[C@]1(C)CCCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C22H33N3O2/c1-17-9-6-7-10-18(17)15-23-20(26)22(2)13-8-14-25(16-22)21(27)24-19-11-4-3-5-12-19/h6-7,9-10,19H,3-5,8,11-16H2,1-2H3,(H,23,26)(H,24,27)/t22-/m1/s1
InChIKeyJUYMGZAJJHDZPU-JOCHJYFZSA-N
XLogP3.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

1-N-(2,4-dimethylphenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 53117240
1-(2,6-difluorobenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117054
(3R)-3-methyl-1-(3-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087371
1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53011146
1-methyl-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 134107417
N-cyclohexyl-4-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057722
(3R)-1-N-(4-bromo-2-fluorophenyl)-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 93071270
(3R)-1-(4-cyclohexylphenyl)sulfonyl-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95088178
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-azaspiro[2.5]octane-5-carboxamide
CID 126785841
1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135182
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
(3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087537

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide (CID 95087773) is (3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide is Cc1ccccc1CNC(=O)[C@]1(C)CCCN(C(=O)NC2CCCCC2)C1.
What is the InChIKey of (3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is JUYMGZAJJHDZPU-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-17-9-6-7-10-18(17)15-23-20(26)22(2)13-8-14-25(16-22)21(27)24-19-11-4-3-5-12-19/h6-7,9-10,19H,3-5,8,11-16H2,1-2H3,(H,23,26)(H,24,27)/t22-/m1/s1.
What are the key properties of (3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide?
(3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-cyclohexyl-3-methyl-3-N-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 95087773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).