2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide

C27H29N3O5 — CID 3240258

IUPAC2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CCC(C(=O)Nc3cccc(C)n3)C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H29N3O5/c1-17-6-5-7-24(28-17)29-27(32)21-13-15-25(31)30(19-9-11-20(33-2)12-10-19)26(21)18-8-14-22(34-3)23(16-18)35-4/h5-12,14,16,21,26H,13,15H2,1-4H3,(H,28,29,32)
InChIKeyPITLBOBEXYPEKE-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.54
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide

2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide (PubChem CID 3240258) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
PubChem CID3240258
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CCC(C(=O)Nc3cccc(C)n3)C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H29N3O5/c1-17-6-5-7-24(28-17)29-27(32)21-13-15-25(31)30(19-9-11-20(33-2)12-10-19)26(21)18-8-14-22(34-3)23(16-18)35-4/h5-12,14,16,21,26H,13,15H2,1-4H3,(H,28,29,32)
InChIKeyPITLBOBEXYPEKE-UHFFFAOYSA-N
XLogP4.54
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide (CID 3240258) is 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide is COc1ccc(N2C(=O)CCC(C(=O)Nc3cccc(C)n3)C2c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is PITLBOBEXYPEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-17-6-5-7-24(28-17)29-27(32)21-13-15-25(31)30(19-9-11-20(33-2)12-10-19)26(21)18-8-14-22(34-3)23(16-18)35-4/h5-12,14,16,21,26H,13,15H2,1-4H3,(H,28,29,32).
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 3240258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).