N-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C57H66N12O3S3 — CID 159684740

About N-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 159684740) has the molecular formula C57H66N12O3S3 and a molecular weight of 1063.44 g/mol. Its IUPAC name is N-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 159684740
• Molecular Formula: C57H66N12O3S3
• Molecular Weight: 1063.44 g/mol
• Exact Mass: 1062.45
• IUPAC Name: N-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1ncc(CN2CCCC(c3cnc4c(c3)CC=C4)C2)s1.CC(=O)Nc1ncc(CN2CCC[C@@H](c3cnc4c(c3)CC=C4)C2)s1.CC(=O)Nc1ncc(CN2CCC[C@H](c3cnc4c(c3)CC=C4)C2)s1
• InChI: InChI=1S/3C19H22N4OS/c3*1-13(24)22-19-21-10-17(25-19)12-23-7-3-5-15(11-23)16-8-14-4-2-6-18(14)20-9-16/h3*2,6,8-10,15H,3-5,7,11-12H2,1H3,(H,21,22,24)/t2*15-;/m10./s1
• InChIKey: MVQLFSIHYAJKPX-UIPGKBEOSA-N
• XLogP: 10.34
• TPSA: 174.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1063.44
LogP ≤ 5	10.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 159684740) is N-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCC(c3cnc4c(c3)CC=C4)C2)s1.CC(=O)Nc1ncc(CN2CCC[C@@H](c3cnc4c(c3)CC=C4)C2)s1.CC(=O)Nc1ncc(CN2CCC[C@H](c3cnc4c(c3)CC=C4)C2)s1.

What is the InChIKey of N-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is MVQLFSIHYAJKPX-UIPGKBEOSA-N. The full InChI is InChI=1S/3C19H22N4OS/c3*1-13(24)22-19-21-10-17(25-19)12-23-7-3-5-15(11-23)16-8-14-4-2-6-18(14)20-9-16/h3*2,6,8-10,15H,3-5,7,11-12H2,1H3,(H,21,22,24)/t2*15-;/m10./s1.

What are the key properties of N-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?

N-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 1063.44 g/mol, XLogP of 10.34, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[(3S)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(3R)-3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[3-(5H-cyclopenta[b]pyridin-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 159684740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).