N-tert-butyl-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C18H27N5O3 — CID 109076044

About N-tert-butyl-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-tert-butyl-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109076044) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-tert-butyl-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 109076044
• Molecular Formula: C18H27N5O3
• Molecular Weight: 361.45 g/mol
• Exact Mass: 361.21
• IUPAC Name: N-tert-butyl-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• SMILES: CC(C)(C)NC(=O)c1nc(C(=O)N2CCN(C=O)CC2)n2c1CCCC2
• InChI: InChI=1S/C18H27N5O3/c1-18(2,3)20-16(25)14-13-6-4-5-7-23(13)15(19-14)17(26)22-10-8-21(12-24)9-11-22/h12H,4-11H2,1-3H3,(H,20,25)
• InChIKey: NTAOTFQQMHGNFN-UHFFFAOYSA-N
• XLogP: 0.66
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.45
LogP ≤ 5	0.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-tert-butyl-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 109076044) is N-tert-butyl-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

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

The canonical SMILES for N-tert-butyl-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is CC(C)(C)NC(=O)c1nc(C(=O)N2CCN(C=O)CC2)n2c1CCCC2.

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

The InChIKey is NTAOTFQQMHGNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-18(2,3)20-16(25)14-13-6-4-5-7-23(13)15(19-14)17(26)22-10-8-21(12-24)9-11-22/h12H,4-11H2,1-3H3,(H,20,25).

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

N-tert-butyl-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-(4-formylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109076044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).