2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C24H29N3O3 — CID 46068418

IUPAC2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCCO2)c(C2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C24H29N3O3/c1-17-9-10-21(23(28)25-16-20-8-5-15-30-20)22(26-17)18-11-13-27(14-12-18)24(29)19-6-3-2-4-7-19/h2-4,6-7,9-10,18,20H,5,8,11-16H2,1H3,(H,25,28)
InChIKeyAJABATAUQMXBCB-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.32
Rot. Bonds5

About 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 46068418) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID46068418
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC2CCCO2)c(C2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C24H29N3O3/c1-17-9-10-21(23(28)25-16-20-8-5-15-30-20)22(26-17)18-11-13-27(14-12-18)24(29)19-6-3-2-4-7-19/h2-4,6-7,9-10,18,20H,5,8,11-16H2,1H3,(H,25,28)
InChIKeyAJABATAUQMXBCB-UHFFFAOYSA-N
XLogP3.32
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 46068418) is 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is Cc1ccc(C(=O)NCC2CCCO2)c(C2CCN(C(=O)c3ccccc3)CC2)n1.
What is the InChIKey of 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is AJABATAUQMXBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17-9-10-21(23(28)25-16-20-8-5-15-30-20)22(26-17)18-11-13-27(14-12-18)24(29)19-6-3-2-4-7-19/h2-4,6-7,9-10,18,20H,5,8,11-16H2,1H3,(H,25,28).
What are the key properties of 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 46068418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).