N-[(3R)-1-(1-methylcyclopentyl)piperidin-3-yl]-2-(9-oxo-12-propan-2-yl-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)acetamide

C24H33N5O2S — CID 175926243

About N-[(3R)-1-(1-methylcyclopentyl)piperidin-3-yl]-2-(9-oxo-12-propan-2-yl-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)acetamide

N-[(3R)-1-(1-methylcyclopentyl)piperidin-3-yl]-2-(9-oxo-12-propan-2-yl-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)acetamide (PubChem CID 175926243) has the molecular formula C24H33N5O2S and a molecular weight of 455.63 g/mol. Its IUPAC name is N-[(3R)-1-(1-methylcyclopentyl)piperidin-3-yl]-2-(9-oxo-12-propan-2-yl-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)acetamide.

Molecular Properties

• Compound Name: N-[(3R)-1-(1-methylcyclopentyl)piperidin-3-yl]-2-(9-oxo-12-propan-2-yl-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)acetamide
• PubChem CID: 175926243
• Molecular Formula: C24H33N5O2S
• Molecular Weight: 455.63 g/mol
• Exact Mass: 455.24
• IUPAC Name: N-[(3R)-1-(1-methylcyclopentyl)piperidin-3-yl]-2-(9-oxo-12-propan-2-yl-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)acetamide
• SMILES: CC(C)c1nn(CC(=O)N[C@@H]2CCCN(C3(C)CCCC3)C2)c(=O)c2cc3ccsc3n12
• InChI: InChI=1S/C24H33N5O2S/c1-16(2)21-26-28(22(31)19-13-17-8-12-32-23(17)29(19)21)15-20(30)25-18-7-6-11-27(14-18)24(3)9-4-5-10-24/h8,12-13,16,18H,4-7,9-11,14-15H2,1-3H3,(H,25,30)/t18-/m1/s1
• InChIKey: OTVYRRYDSDDPPB-GOSISDBHSA-N
• XLogP: 3.75
• TPSA: 71.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.63
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(1-methylcyclopentyl)piperidin-3-yl]-2-(9-oxo-12-propan-2-yl-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)acetamide?

The IUPAC name of N-[(3R)-1-(1-methylcyclopentyl)piperidin-3-yl]-2-(9-oxo-12-propan-2-yl-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)acetamide (CID 175926243) is N-[(3R)-1-(1-methylcyclopentyl)piperidin-3-yl]-2-(9-oxo-12-propan-2-yl-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)acetamide.

What is the SMILES notation for N-[(3R)-1-(1-methylcyclopentyl)piperidin-3-yl]-2-(9-oxo-12-propan-2-yl-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)acetamide?

The canonical SMILES for N-[(3R)-1-(1-methylcyclopentyl)piperidin-3-yl]-2-(9-oxo-12-propan-2-yl-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)acetamide is CC(C)c1nn(CC(=O)N[C@@H]2CCCN(C3(C)CCCC3)C2)c(=O)c2cc3ccsc3n12.

What is the InChIKey of N-[(3R)-1-(1-methylcyclopentyl)piperidin-3-yl]-2-(9-oxo-12-propan-2-yl-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)acetamide?

The InChIKey is OTVYRRYDSDDPPB-GOSISDBHSA-N. The full InChI is InChI=1S/C24H33N5O2S/c1-16(2)21-26-28(22(31)19-13-17-8-12-32-23(17)29(19)21)15-20(30)25-18-7-6-11-27(14-18)24(3)9-4-5-10-24/h8,12-13,16,18H,4-7,9-11,14-15H2,1-3H3,(H,25,30)/t18-/m1/s1.

What are the key properties of N-[(3R)-1-(1-methylcyclopentyl)piperidin-3-yl]-2-(9-oxo-12-propan-2-yl-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)acetamide?

N-[(3R)-1-(1-methylcyclopentyl)piperidin-3-yl]-2-(9-oxo-12-propan-2-yl-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)acetamide has a molecular weight of 455.63 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-(1-methylcyclopentyl)piperidin-3-yl]-2-(9-oxo-12-propan-2-yl-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)acetamide is sourced from PubChem (CID 175926243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).