2-cyclopentyl-N-[(R)-pyridin-2-yl-[(3R)-1-(1,2-thiazole-4-carbonyl)piperidin-3-yl]methyl]acetamide

C22H28N4O2S — CID 92577146

About 2-cyclopentyl-N-[(R)-pyridin-2-yl-[(3R)-1-(1,2-thiazole-4-carbonyl)piperidin-3-yl]methyl]acetamide

2-cyclopentyl-N-[(R)-pyridin-2-yl-[(3R)-1-(1,2-thiazole-4-carbonyl)piperidin-3-yl]methyl]acetamide (PubChem CID 92577146) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(R)-pyridin-2-yl-[(3R)-1-(1,2-thiazole-4-carbonyl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopentyl-N-[(R)-pyridin-2-yl-[(3R)-1-(1,2-thiazole-4-carbonyl)piperidin-3-yl]methyl]acetamide
• PubChem CID: 92577146
• Molecular Formula: C22H28N4O2S
• Molecular Weight: 412.56 g/mol
• Exact Mass: 412.19
• IUPAC Name: 2-cyclopentyl-N-[(R)-pyridin-2-yl-[(3R)-1-(1,2-thiazole-4-carbonyl)piperidin-3-yl]methyl]acetamide
• SMILES: O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCCN(C(=O)c2cnsc2)C1
• InChI: InChI=1S/C22H28N4O2S/c27-20(12-16-6-1-2-7-16)25-21(19-9-3-4-10-23-19)17-8-5-11-26(14-17)22(28)18-13-24-29-15-18/h3-4,9-10,13,15-17,21H,1-2,5-8,11-12,14H2,(H,25,27)/t17-,21-/m1/s1
• InChIKey: KMHZKWIBWWJXJL-DYESRHJHSA-N
• XLogP: 3.83
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.56
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(R)-pyridin-2-yl-[(3R)-1-(1,2-thiazole-4-carbonyl)piperidin-3-yl]methyl]acetamide?

The IUPAC name of 2-cyclopentyl-N-[(R)-pyridin-2-yl-[(3R)-1-(1,2-thiazole-4-carbonyl)piperidin-3-yl]methyl]acetamide (CID 92577146) is 2-cyclopentyl-N-[(R)-pyridin-2-yl-[(3R)-1-(1,2-thiazole-4-carbonyl)piperidin-3-yl]methyl]acetamide.

What is the SMILES notation for 2-cyclopentyl-N-[(R)-pyridin-2-yl-[(3R)-1-(1,2-thiazole-4-carbonyl)piperidin-3-yl]methyl]acetamide?

The canonical SMILES for 2-cyclopentyl-N-[(R)-pyridin-2-yl-[(3R)-1-(1,2-thiazole-4-carbonyl)piperidin-3-yl]methyl]acetamide is O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCCN(C(=O)c2cnsc2)C1.

What is the InChIKey of 2-cyclopentyl-N-[(R)-pyridin-2-yl-[(3R)-1-(1,2-thiazole-4-carbonyl)piperidin-3-yl]methyl]acetamide?

The InChIKey is KMHZKWIBWWJXJL-DYESRHJHSA-N. The full InChI is InChI=1S/C22H28N4O2S/c27-20(12-16-6-1-2-7-16)25-21(19-9-3-4-10-23-19)17-8-5-11-26(14-17)22(28)18-13-24-29-15-18/h3-4,9-10,13,15-17,21H,1-2,5-8,11-12,14H2,(H,25,27)/t17-,21-/m1/s1.

What are the key properties of 2-cyclopentyl-N-[(R)-pyridin-2-yl-[(3R)-1-(1,2-thiazole-4-carbonyl)piperidin-3-yl]methyl]acetamide?

2-cyclopentyl-N-[(R)-pyridin-2-yl-[(3R)-1-(1,2-thiazole-4-carbonyl)piperidin-3-yl]methyl]acetamide has a molecular weight of 412.56 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-N-[(R)-pyridin-2-yl-[(3R)-1-(1,2-thiazole-4-carbonyl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 92577146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).