tert-butyl 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate

C30H35N5O3 — CID 145271438

About tert-butyl 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate

tert-butyl 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate (PubChem CID 145271438) has the molecular formula C30H35N5O3 and a molecular weight of 513.64 g/mol. Its IUPAC name is tert-butyl 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
• PubChem CID: 145271438
• Molecular Formula: C30H35N5O3
• Molecular Weight: 513.64 g/mol
• Exact Mass: 513.27
• IUPAC Name: tert-butyl 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCCC(n2c(=O)[nH]c3c(N(Cc4ccccc4)Cc4ccccc4)nccc32)C1
• InChI: InChI=1S/C30H35N5O3/c1-30(2,3)38-29(37)33-18-10-15-24(21-33)35-25-16-17-31-27(26(25)32-28(35)36)34(19-22-11-6-4-7-12-22)20-23-13-8-5-9-14-23/h4-9,11-14,16-17,24H,10,15,18-21H2,1-3H3,(H,32,36)
• InChIKey: TUIZGULRIPGKIP-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 83.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.64
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate (CID 145271438) is tert-butyl 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(n2c(=O)[nH]c3c(N(Cc4ccccc4)Cc4ccccc4)nccc32)C1.

What is the InChIKey of tert-butyl 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate?

The InChIKey is TUIZGULRIPGKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O3/c1-30(2,3)38-29(37)33-18-10-15-24(21-33)35-25-16-17-31-27(26(25)32-28(35)36)34(19-22-11-6-4-7-12-22)20-23-13-8-5-9-14-23/h4-9,11-14,16-17,24H,10,15,18-21H2,1-3H3,(H,32,36).

What are the key properties of tert-butyl 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate?

tert-butyl 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate has a molecular weight of 513.64 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[4-(dibenzylamino)-2-oxo-3H-imidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 145271438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).