3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

C15H21N3O2 — CID 47323838

IUPAC3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCNC(=O)C1CCCN(C(=O)Nc2cccc(C)c2)C1
InChIInChI=1S/C15H21N3O2/c1-11-5-3-7-13(9-11)17-15(20)18-8-4-6-12(10-18)14(19)16-2/h3,5,7,9,12H,4,6,8,10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyRFHHKGJBRRDAKZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.98
Rot. Bonds2

About 3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 47323838) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
PubChem CID47323838
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCNC(=O)C1CCCN(C(=O)Nc2cccc(C)c2)C1
InChIInChI=1S/C15H21N3O2/c1-11-5-3-7-13(9-11)17-15(20)18-8-4-6-12(10-18)14(19)16-2/h3,5,7,9,12H,4,6,8,10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyRFHHKGJBRRDAKZ-UHFFFAOYSA-N
XLogP1.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105
(3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide
CID 51962441
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 119410579
3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817620
N-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide
CID 55837238

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (CID 47323838) is 3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is CNC(=O)C1CCCN(C(=O)Nc2cccc(C)c2)C1.
What is the InChIKey of 3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is RFHHKGJBRRDAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-5-3-7-13(9-11)17-15(20)18-8-4-6-12(10-18)14(19)16-2/h3,5,7,9,12H,4,6,8,10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 47323838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).