[1-[2-[1-(3-chloro-2-methylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-fluoro-4-hydroxypiperidin-1-yl)methanone

C26H34ClFN4O2 — CID 146485333

About [1-[2-[1-(3-chloro-2-methylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-fluoro-4-hydroxypiperidin-1-yl)methanone

[1-[2-[1-(3-chloro-2-methylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-fluoro-4-hydroxypiperidin-1-yl)methanone (PubChem CID 146485333) has the molecular formula C26H34ClFN4O2 and a molecular weight of 489.04 g/mol. Its IUPAC name is [1-[2-[1-(3-chloro-2-methylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-fluoro-4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [1-[2-[1-(3-chloro-2-methylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-fluoro-4-hydroxypiperidin-1-yl)methanone
• PubChem CID: 146485333
• Molecular Formula: C26H34ClFN4O2
• Molecular Weight: 489.04 g/mol
• Exact Mass: 488.24
• IUPAC Name: [1-[2-[1-(3-chloro-2-methylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-fluoro-4-hydroxypiperidin-1-yl)methanone
• SMILES: Cc1c(Cl)cccc1N1CCC(CCn2nc(C(=O)N3CCC(O)C(F)C3)c3c2CCC3)CC1
• InChI: InChI=1S/C26H34ClFN4O2/c1-17-20(27)5-3-6-22(17)30-12-8-18(9-13-30)10-15-32-23-7-2-4-19(23)25(29-32)26(34)31-14-11-24(33)21(28)16-31/h3,5-6,18,21,24,33H,2,4,7-16H2,1H3
• InChIKey: UAFRUQMXMUMEGQ-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 61.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.04
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-[2-[1-(3-chloro-2-methylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-fluoro-4-hydroxypiperidin-1-yl)methanone?

The IUPAC name of [1-[2-[1-(3-chloro-2-methylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-fluoro-4-hydroxypiperidin-1-yl)methanone (CID 146485333) is [1-[2-[1-(3-chloro-2-methylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-fluoro-4-hydroxypiperidin-1-yl)methanone.

What is the SMILES notation for [1-[2-[1-(3-chloro-2-methylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-fluoro-4-hydroxypiperidin-1-yl)methanone?

The canonical SMILES for [1-[2-[1-(3-chloro-2-methylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-fluoro-4-hydroxypiperidin-1-yl)methanone is Cc1c(Cl)cccc1N1CCC(CCn2nc(C(=O)N3CCC(O)C(F)C3)c3c2CCC3)CC1.

What is the InChIKey of [1-[2-[1-(3-chloro-2-methylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-fluoro-4-hydroxypiperidin-1-yl)methanone?

The InChIKey is UAFRUQMXMUMEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClFN4O2/c1-17-20(27)5-3-6-22(17)30-12-8-18(9-13-30)10-15-32-23-7-2-4-19(23)25(29-32)26(34)31-14-11-24(33)21(28)16-31/h3,5-6,18,21,24,33H,2,4,7-16H2,1H3.

What are the key properties of [1-[2-[1-(3-chloro-2-methylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-fluoro-4-hydroxypiperidin-1-yl)methanone?

[1-[2-[1-(3-chloro-2-methylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-fluoro-4-hydroxypiperidin-1-yl)methanone has a molecular weight of 489.04 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[1-(3-chloro-2-methylphenyl)piperidin-4-yl]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(3-fluoro-4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 146485333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).