1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(3R,4R)-3-fluoro-4-hydroxypiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone

C27H35FN4O3 — CID 150823269

About 1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(3R,4R)-3-fluoro-4-hydroxypiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone

1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(3R,4R)-3-fluoro-4-hydroxypiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone (PubChem CID 150823269) has the molecular formula C27H35FN4O3 and a molecular weight of 482.60 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(3R,4R)-3-fluoro-4-hydroxypiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(3R,4R)-3-fluoro-4-hydroxypiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
• PubChem CID: 150823269
• Molecular Formula: C27H35FN4O3
• Molecular Weight: 482.60 g/mol
• Exact Mass: 482.27
• IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(3R,4R)-3-fluoro-4-hydroxypiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
• SMILES: Cc1cccc(C2CCN(C(=O)Cn3nc(C(=O)N4CC[C@@H](O)[C@H](F)C4)c4c3CCC4)CC2)c1C
• InChI: InChI=1S/C27H35FN4O3/c1-17-5-3-6-20(18(17)2)19-9-12-30(13-10-19)25(34)16-32-23-8-4-7-21(23)26(29-32)27(35)31-14-11-24(33)22(28)15-31/h3,5-6,19,22,24,33H,4,7-16H2,1-2H3/t22-,24-/m1/s1
• InChIKey: KKJPNIPYFJYDIB-ISKFKSNPSA-N
• XLogP: 2.94
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.60
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(3R,4R)-3-fluoro-4-hydroxypiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?

The IUPAC name of 1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(3R,4R)-3-fluoro-4-hydroxypiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone (CID 150823269) is 1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(3R,4R)-3-fluoro-4-hydroxypiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone.

What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(3R,4R)-3-fluoro-4-hydroxypiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?

The canonical SMILES for 1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(3R,4R)-3-fluoro-4-hydroxypiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone is Cc1cccc(C2CCN(C(=O)Cn3nc(C(=O)N4CC[C@@H](O)[C@H](F)C4)c4c3CCC4)CC2)c1C.

What is the InChIKey of 1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(3R,4R)-3-fluoro-4-hydroxypiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?

The InChIKey is KKJPNIPYFJYDIB-ISKFKSNPSA-N. The full InChI is InChI=1S/C27H35FN4O3/c1-17-5-3-6-20(18(17)2)19-9-12-30(13-10-19)25(34)16-32-23-8-4-7-21(23)26(29-32)27(35)31-14-11-24(33)22(28)15-31/h3,5-6,19,22,24,33H,4,7-16H2,1-2H3/t22-,24-/m1/s1.

What are the key properties of 1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(3R,4R)-3-fluoro-4-hydroxypiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?

1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(3R,4R)-3-fluoro-4-hydroxypiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone has a molecular weight of 482.60 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(3R,4R)-3-fluoro-4-hydroxypiperidine-1-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone is sourced from PubChem (CID 150823269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).