1-N-(2,3-dimethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide

C24H31N3O3 — CID 53117261

IUPAC1-N-(2,3-dimethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
SMILESCOc1cccc(CNC(=O)C2(C)CCCN(C(=O)Nc3cccc(C)c3C)C2)c1
InChIInChI=1S/C24H31N3O3/c1-17-8-5-11-21(18(17)2)26-23(29)27-13-7-12-24(3,16-27)22(28)25-15-19-9-6-10-20(14-19)30-4/h5-6,8-11,14H,7,12-13,15-16H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyQWBAYHCZRZSHPM-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.26
Rot. Bonds5

About 1-N-(2,3-dimethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide

1-N-(2,3-dimethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide (PubChem CID 53117261) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-N-(2,3-dimethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,3-dimethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
PubChem CID53117261
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-N-(2,3-dimethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
SMILESCOc1cccc(CNC(=O)C2(C)CCCN(C(=O)Nc3cccc(C)c3C)C2)c1
InChIInChI=1S/C24H31N3O3/c1-17-8-5-11-21(18(17)2)26-23(29)27-13-7-12-24(3,16-27)22(28)25-15-19-9-6-10-20(14-19)30-4/h5-6,8-11,14H,7,12-13,15-16H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyQWBAYHCZRZSHPM-UHFFFAOYSA-N
XLogP4.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-benzylpiperidin-1-yl)propyl]-N'-(4-methoxyphenyl)urea
CID 16193711
2-(3-methoxyphenyl)-2,3-dihydro-1H-perimidine
CID 256656
N-{4-[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-butyl}-3-methoxy-benzamide
CID 10430816
N-(4-methoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 2978904
N-[(3-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 9156648
N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 9156673
Piperidine-1,3-dicarboxylic acid 1-benzylamide 3-[(2-methoxy-phenyl)-amide]
CID 24761950
N-(2,3-dimethylphenyl)-4-(3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 658690
3-[(3,4-Dimethyl-phenylamino)-methyl]-6-methoxy-quinolin-2-ol
CID 939029
6-methoxy-3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 943158
N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)ethyl]-N'-(4-methoxyphenyl)urea
CID 1248570
N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 3707929

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-dimethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(2,3-dimethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide (CID 53117261) is 1-N-(2,3-dimethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2,3-dimethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2,3-dimethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide is COc1cccc(CNC(=O)C2(C)CCCN(C(=O)Nc3cccc(C)c3C)C2)c1.
What is the InChIKey of 1-N-(2,3-dimethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
The InChIKey is QWBAYHCZRZSHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-17-8-5-11-21(18(17)2)26-23(29)27-13-7-12-24(3,16-27)22(28)25-15-19-9-6-10-20(14-19)30-4/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-(2,3-dimethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
1-N-(2,3-dimethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide has a molecular weight of 409.53 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dimethylphenyl)-3-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 53117261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).