N-[(4-methylphenyl)methyl]-3-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C23H30N4O2 — CID 109076271

About N-[(4-methylphenyl)methyl]-3-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-[(4-methylphenyl)methyl]-3-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109076271) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(4-methylphenyl)methyl]-3-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 109076271
• Molecular Formula: C23H30N4O2
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.24
• IUPAC Name: N-[(4-methylphenyl)methyl]-3-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• SMILES: Cc1ccc(CNC(=O)c2nc(C(=O)N3CCCC(C)C3)n3c2CCCC3)cc1
• InChI: InChI=1S/C23H30N4O2/c1-16-8-10-18(11-9-16)14-24-22(28)20-19-7-3-4-13-27(19)21(25-20)23(29)26-12-5-6-17(2)15-26/h8-11,17H,3-7,12-15H2,1-2H3,(H,24,28)
• InChIKey: IOBJTODKFLVIBY-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The IUPAC name of N-[(4-methylphenyl)methyl]-3-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 109076271) is N-[(4-methylphenyl)methyl]-3-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The canonical SMILES for N-[(4-methylphenyl)methyl]-3-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is Cc1ccc(CNC(=O)c2nc(C(=O)N3CCCC(C)C3)n3c2CCCC3)cc1.

What is the InChIKey of N-[(4-methylphenyl)methyl]-3-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The InChIKey is IOBJTODKFLVIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-16-8-10-18(11-9-16)14-24-22(28)20-19-7-3-4-13-27(19)21(25-20)23(29)26-12-5-6-17(2)15-26/h8-11,17H,3-7,12-15H2,1-2H3,(H,24,28).

What are the key properties of N-[(4-methylphenyl)methyl]-3-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

N-[(4-methylphenyl)methyl]-3-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methylphenyl)methyl]-3-(3-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109076271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).