N-(1-benzylpiperidin-4-yl)-6-methyl-4-oxochromene-3-carboxamide

C23H24N2O3 — CID 162672332

IUPACN-(1-benzylpiperidin-4-yl)-6-methyl-4-oxochromene-3-carboxamide
SMILESCc1ccc2occ(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c2c1
InChIInChI=1S/C23H24N2O3/c1-16-7-8-21-19(13-16)22(26)20(15-28-21)23(27)24-18-9-11-25(12-10-18)14-17-5-3-2-4-6-17/h2-8,13,15,18H,9-12,14H2,1H3,(H,24,27)
InChIKeyNOZXTWSXCFNMEK-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.50
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-6-methyl-4-oxochromene-3-carboxamide

N-(1-benzylpiperidin-4-yl)-6-methyl-4-oxochromene-3-carboxamide (PubChem CID 162672332) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-methyl-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6-methyl-4-oxochromene-3-carboxamide
PubChem CID162672332
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-6-methyl-4-oxochromene-3-carboxamide
SMILESCc1ccc2occ(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c2c1
InChIInChI=1S/C23H24N2O3/c1-16-7-8-21-19(13-16)22(26)20(15-28-21)23(27)24-18-9-11-25(12-10-18)14-17-5-3-2-4-6-17/h2-8,13,15,18H,9-12,14H2,1H3,(H,24,27)
InChIKeyNOZXTWSXCFNMEK-UHFFFAOYSA-N
XLogP3.50
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpiperidin-4-yl)-6-methyl-4-oxochromene-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 N-(1-benzylpiperidin-4-yl)-6-methyl-4-oxochromene-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-methyl-4-oxochromene-3-carboxamide (CID 162672332) is N-(1-benzylpiperidin-4-yl)-6-methyl-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-methyl-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-methyl-4-oxochromene-3-carboxamide is Cc1ccc2occ(C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)c2c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-methyl-4-oxochromene-3-carboxamide?
The InChIKey is NOZXTWSXCFNMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16-7-8-21-19(13-16)22(26)20(15-28-21)23(27)24-18-9-11-25(12-10-18)14-17-5-3-2-4-6-17/h2-8,13,15,18H,9-12,14H2,1H3,(H,24,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6-methyl-4-oxochromene-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-6-methyl-4-oxochromene-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6-methyl-4-oxochromene-3-carboxamide is sourced from PubChem (CID 162672332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).