3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

C25H33N3O4 — CID 46069425

IUPAC3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
SMILESCOc1cc(NC(=O)C2CC(c3cccc(C)c3)CN(C(=O)NC(C)C)C2)cc(OC)c1
InChIInChI=1S/C25H33N3O4/c1-16(2)26-25(30)28-14-19(18-8-6-7-17(3)9-18)10-20(15-28)24(29)27-21-11-22(31-4)13-23(12-21)32-5/h6-9,11-13,16,19-20H,10,14-15H2,1-5H3,(H,26,30)(H,27,29)
InChIKeyWMVGMLNBMVANEP-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.17
Rot. Bonds6

About 3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (PubChem CID 46069425) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is 3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
PubChem CID46069425
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
SMILESCOc1cc(NC(=O)C2CC(c3cccc(C)c3)CN(C(=O)NC(C)C)C2)cc(OC)c1
InChIInChI=1S/C25H33N3O4/c1-16(2)26-25(30)28-14-19(18-8-6-7-17(3)9-18)10-20(15-28)24(29)27-21-11-22(31-4)13-23(12-21)32-5/h6-9,11-13,16,19-20H,10,14-15H2,1-5H3,(H,26,30)(H,27,29)
InChIKeyWMVGMLNBMVANEP-UHFFFAOYSA-N
XLogP4.17
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42865487
1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865431
(3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92999274
(3R,5S)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92999273
1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 46065416
N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868424
(3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996083
(2R)-N-(3,5-dimethoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51855985
1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide
CID 42865244
1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 42865383
(3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 92995542
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (CID 46069425) is 3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is COc1cc(NC(=O)C2CC(c3cccc(C)c3)CN(C(=O)NC(C)C)C2)cc(OC)c1.
What is the InChIKey of 3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The InChIKey is WMVGMLNBMVANEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-16(2)26-25(30)28-14-19(18-8-6-7-17(3)9-18)10-20(15-28)24(29)27-21-11-22(31-4)13-23(12-21)32-5/h6-9,11-13,16,19-20H,10,14-15H2,1-5H3,(H,26,30)(H,27,29).
What are the key properties of 3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide has a molecular weight of 439.56 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 46069425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).