benzyl N-[(R)-[2-[[(3R,5S)-5-methyl-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b][1,2,4]triazin-6-yl]-spiro[2.5]octan-6-ylmethyl]carbamate

C29H36N6O3 — CID 178159640

About benzyl N-[(R)-[2-[[(3R,5S)-5-methyl-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b][1,2,4]triazin-6-yl]-spiro[2.5]octan-6-ylmethyl]carbamate

benzyl N-[(R)-[2-[[(3R,5S)-5-methyl-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b][1,2,4]triazin-6-yl]-spiro[2.5]octan-6-ylmethyl]carbamate (PubChem CID 178159640) has the molecular formula C29H36N6O3 and a molecular weight of 516.65 g/mol. Its IUPAC name is benzyl N-[(R)-[2-[[(3R,5S)-5-methyl-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b][1,2,4]triazin-6-yl]-spiro[2.5]octan-6-ylmethyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[(R)-[2-[[(3R,5S)-5-methyl-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b][1,2,4]triazin-6-yl]-spiro[2.5]octan-6-ylmethyl]carbamate
• PubChem CID: 178159640
• Molecular Formula: C29H36N6O3
• Molecular Weight: 516.65 g/mol
• Exact Mass: 516.28
• IUPAC Name: benzyl N-[(R)-[2-[[(3R,5S)-5-methyl-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b][1,2,4]triazin-6-yl]-spiro[2.5]octan-6-ylmethyl]carbamate
• SMILES: C[C@@H]1CNC(=O)[C@@H](Cc2cnc3nc([C@H](NC(=O)OCc4ccccc4)C4CCC5(CC4)CC5)cn3n2)C1
• InChI: InChI=1S/C29H36N6O3/c1-19-13-22(26(36)30-15-19)14-23-16-31-27-32-24(17-35(27)34-23)25(21-7-9-29(10-8-21)11-12-29)33-28(37)38-18-20-5-3-2-4-6-20/h2-6,16-17,19,21-22,25H,7-15,18H2,1H3,(H,30,36)(H,33,37)/t19-,22+,25+/m0/s1
• InChIKey: SUTZACWXPXAMTP-UWUFEASWSA-N
• XLogP: 4.38
• TPSA: 110.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.65
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(R)-[2-[[(3R,5S)-5-methyl-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b][1,2,4]triazin-6-yl]-spiro[2.5]octan-6-ylmethyl]carbamate?

The IUPAC name of benzyl N-[(R)-[2-[[(3R,5S)-5-methyl-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b][1,2,4]triazin-6-yl]-spiro[2.5]octan-6-ylmethyl]carbamate (CID 178159640) is benzyl N-[(R)-[2-[[(3R,5S)-5-methyl-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b][1,2,4]triazin-6-yl]-spiro[2.5]octan-6-ylmethyl]carbamate.

What is the SMILES notation for benzyl N-[(R)-[2-[[(3R,5S)-5-methyl-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b][1,2,4]triazin-6-yl]-spiro[2.5]octan-6-ylmethyl]carbamate?

The canonical SMILES for benzyl N-[(R)-[2-[[(3R,5S)-5-methyl-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b][1,2,4]triazin-6-yl]-spiro[2.5]octan-6-ylmethyl]carbamate is C[C@@H]1CNC(=O)[C@@H](Cc2cnc3nc([C@H](NC(=O)OCc4ccccc4)C4CCC5(CC4)CC5)cn3n2)C1.

What is the InChIKey of benzyl N-[(R)-[2-[[(3R,5S)-5-methyl-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b][1,2,4]triazin-6-yl]-spiro[2.5]octan-6-ylmethyl]carbamate?

The InChIKey is SUTZACWXPXAMTP-UWUFEASWSA-N. The full InChI is InChI=1S/C29H36N6O3/c1-19-13-22(26(36)30-15-19)14-23-16-31-27-32-24(17-35(27)34-23)25(21-7-9-29(10-8-21)11-12-29)33-28(37)38-18-20-5-3-2-4-6-20/h2-6,16-17,19,21-22,25H,7-15,18H2,1H3,(H,30,36)(H,33,37)/t19-,22+,25+/m0/s1.

What are the key properties of benzyl N-[(R)-[2-[[(3R,5S)-5-methyl-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b][1,2,4]triazin-6-yl]-spiro[2.5]octan-6-ylmethyl]carbamate?

benzyl N-[(R)-[2-[[(3R,5S)-5-methyl-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b][1,2,4]triazin-6-yl]-spiro[2.5]octan-6-ylmethyl]carbamate has a molecular weight of 516.65 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(R)-[2-[[(3R,5S)-5-methyl-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b][1,2,4]triazin-6-yl]-spiro[2.5]octan-6-ylmethyl]carbamate is sourced from PubChem (CID 178159640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).