tert-butyl N-[1-[6-(cyclohexa-1,2,4-triene-1-carbonyl)-5-methyl-3-[(2-methylphenyl)methyl]-4-oxoimidazo[4,5-c]pyridin-2-yl]piperidin-3-yl]carbamate

C32H37N5O4 — CID 143054280

About tert-butyl N-[1-[6-(cyclohexa-1,2,4-triene-1-carbonyl)-5-methyl-3-[(2-methylphenyl)methyl]-4-oxoimidazo[4,5-c]pyridin-2-yl]piperidin-3-yl]carbamate

tert-butyl N-[1-[6-(cyclohexa-1,2,4-triene-1-carbonyl)-5-methyl-3-[(2-methylphenyl)methyl]-4-oxoimidazo[4,5-c]pyridin-2-yl]piperidin-3-yl]carbamate (PubChem CID 143054280) has the molecular formula C32H37N5O4 and a molecular weight of 555.68 g/mol. Its IUPAC name is tert-butyl N-[1-[6-(cyclohexa-1,2,4-triene-1-carbonyl)-5-methyl-3-[(2-methylphenyl)methyl]-4-oxoimidazo[4,5-c]pyridin-2-yl]piperidin-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[6-(cyclohexa-1,2,4-triene-1-carbonyl)-5-methyl-3-[(2-methylphenyl)methyl]-4-oxoimidazo[4,5-c]pyridin-2-yl]piperidin-3-yl]carbamate
• PubChem CID: 143054280
• Molecular Formula: C32H37N5O4
• Molecular Weight: 555.68 g/mol
• Exact Mass: 555.28
• IUPAC Name: tert-butyl N-[1-[6-(cyclohexa-1,2,4-triene-1-carbonyl)-5-methyl-3-[(2-methylphenyl)methyl]-4-oxoimidazo[4,5-c]pyridin-2-yl]piperidin-3-yl]carbamate
• SMILES: Cc1ccccc1Cn1c(N2CCCC(NC(=O)OC(C)(C)C)C2)nc2cc(C(=O)C3=C=CC=CC3)n(C)c(=O)c21
• InChI: InChI=1S/C32H37N5O4/c1-21-12-9-10-15-23(21)19-37-27-25(18-26(35(5)29(27)39)28(38)22-13-7-6-8-14-22)34-30(37)36-17-11-16-24(20-36)33-31(40)41-32(2,3)4/h6-10,12,15,18,24H,11,13,16-17,19-20H2,1-5H3,(H,33,40)
• InChIKey: RQLHSRJXMVADKY-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 98.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.68
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[6-(cyclohexa-1,2,4-triene-1-carbonyl)-5-methyl-3-[(2-methylphenyl)methyl]-4-oxoimidazo[4,5-c]pyridin-2-yl]piperidin-3-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[6-(cyclohexa-1,2,4-triene-1-carbonyl)-5-methyl-3-[(2-methylphenyl)methyl]-4-oxoimidazo[4,5-c]pyridin-2-yl]piperidin-3-yl]carbamate (CID 143054280) is tert-butyl N-[1-[6-(cyclohexa-1,2,4-triene-1-carbonyl)-5-methyl-3-[(2-methylphenyl)methyl]-4-oxoimidazo[4,5-c]pyridin-2-yl]piperidin-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[6-(cyclohexa-1,2,4-triene-1-carbonyl)-5-methyl-3-[(2-methylphenyl)methyl]-4-oxoimidazo[4,5-c]pyridin-2-yl]piperidin-3-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-[6-(cyclohexa-1,2,4-triene-1-carbonyl)-5-methyl-3-[(2-methylphenyl)methyl]-4-oxoimidazo[4,5-c]pyridin-2-yl]piperidin-3-yl]carbamate is Cc1ccccc1Cn1c(N2CCCC(NC(=O)OC(C)(C)C)C2)nc2cc(C(=O)C3=C=CC=CC3)n(C)c(=O)c21.

What is the InChIKey of tert-butyl N-[1-[6-(cyclohexa-1,2,4-triene-1-carbonyl)-5-methyl-3-[(2-methylphenyl)methyl]-4-oxoimidazo[4,5-c]pyridin-2-yl]piperidin-3-yl]carbamate?

The InChIKey is RQLHSRJXMVADKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O4/c1-21-12-9-10-15-23(21)19-37-27-25(18-26(35(5)29(27)39)28(38)22-13-7-6-8-14-22)34-30(37)36-17-11-16-24(20-36)33-31(40)41-32(2,3)4/h6-10,12,15,18,24H,11,13,16-17,19-20H2,1-5H3,(H,33,40).

What are the key properties of tert-butyl N-[1-[6-(cyclohexa-1,2,4-triene-1-carbonyl)-5-methyl-3-[(2-methylphenyl)methyl]-4-oxoimidazo[4,5-c]pyridin-2-yl]piperidin-3-yl]carbamate?

tert-butyl N-[1-[6-(cyclohexa-1,2,4-triene-1-carbonyl)-5-methyl-3-[(2-methylphenyl)methyl]-4-oxoimidazo[4,5-c]pyridin-2-yl]piperidin-3-yl]carbamate has a molecular weight of 555.68 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[6-(cyclohexa-1,2,4-triene-1-carbonyl)-5-methyl-3-[(2-methylphenyl)methyl]-4-oxoimidazo[4,5-c]pyridin-2-yl]piperidin-3-yl]carbamate is sourced from PubChem (CID 143054280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).