2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenyl)-4-fluoropiperidin-1-yl]ethanone

C28H37FN4O3 — CID 151352645

About 2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenyl)-4-fluoropiperidin-1-yl]ethanone

2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenyl)-4-fluoropiperidin-1-yl]ethanone (PubChem CID 151352645) has the molecular formula C28H37FN4O3 and a molecular weight of 496.63 g/mol. Its IUPAC name is 2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenyl)-4-fluoropiperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenyl)-4-fluoropiperidin-1-yl]ethanone
• PubChem CID: 151352645
• Molecular Formula: C28H37FN4O3
• Molecular Weight: 496.63 g/mol
• Exact Mass: 496.28
• IUPAC Name: 2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenyl)-4-fluoropiperidin-1-yl]ethanone
• SMILES: Cc1cccc(C2(F)CCN(C(=O)Cn3nc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)c4c3CCC4)CC2)c1C
• InChI: InChI=1S/C28H37FN4O3/c1-18-7-5-9-23(21(18)4)28(29)11-13-31(14-12-28)25(34)17-33-24-10-6-8-22(24)26(30-33)27(35)32-15-19(2)36-20(3)16-32/h5,7,9,19-20H,6,8,10-17H2,1-4H3/t19-,20+
• InChIKey: OMUNPVGDDUCRNF-BGYRXZFFSA-N
• XLogP: 3.73
• TPSA: 67.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.63
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenyl)-4-fluoropiperidin-1-yl]ethanone (CID 151352645) is 2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenyl)-4-fluoropiperidin-1-yl]ethanone.

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

The canonical SMILES for 2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenyl)-4-fluoropiperidin-1-yl]ethanone is Cc1cccc(C2(F)CCN(C(=O)Cn3nc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)c4c3CCC4)CC2)c1C.

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

The InChIKey is OMUNPVGDDUCRNF-BGYRXZFFSA-N. The full InChI is InChI=1S/C28H37FN4O3/c1-18-7-5-9-23(21(18)4)28(29)11-13-31(14-12-28)25(34)17-33-24-10-6-8-22(24)26(30-33)27(35)32-15-19(2)36-20(3)16-32/h5,7,9,19-20H,6,8,10-17H2,1-4H3/t19-,20+.

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

2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenyl)-4-fluoropiperidin-1-yl]ethanone has a molecular weight of 496.63 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2,3-dimethylphenyl)-4-fluoropiperidin-1-yl]ethanone is sourced from PubChem (CID 151352645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).