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

C26H27N3O4 — CID 3243090

IUPAC1,2-bis(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3cccc(C)n3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H27N3O4/c1-17-5-4-6-23(27-17)28-26(31)22-15-16-24(30)29(19-9-13-21(33-3)14-10-19)25(22)18-7-11-20(32-2)12-8-18/h4-14,22,25H,15-16H2,1-3H3,(H,27,28,31)
InChIKeyLIISURJRXKPPMV-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.53
Rot. Bonds6

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

1,2-bis(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide (PubChem CID 3243090) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 1,2-bis(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1,2-bis(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
PubChem CID3243090
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name1,2-bis(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3cccc(C)n3)CCC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H27N3O4/c1-17-5-4-6-23(27-17)28-26(31)22-15-16-24(30)29(19-9-13-21(33-3)14-10-19)25(22)18-7-11-20(32-2)12-8-18/h4-14,22,25H,15-16H2,1-3H3,(H,27,28,31)
InChIKeyLIISURJRXKPPMV-UHFFFAOYSA-N
XLogP4.53
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1,2-bis(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide (CID 3243090) is 1,2-bis(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1,2-bis(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1,2-bis(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide is COc1ccc(C2C(C(=O)Nc3cccc(C)n3)CCC(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,2-bis(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is LIISURJRXKPPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-17-5-4-6-23(27-17)28-26(31)22-15-16-24(30)29(19-9-13-21(33-3)14-10-19)25(22)18-7-11-20(32-2)12-8-18/h4-14,22,25H,15-16H2,1-3H3,(H,27,28,31).
What are the key properties of 1,2-bis(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide?
1,2-bis(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 3243090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).