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

C27H35FN4O3 — CID 150549064

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

2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]ethanone (PubChem CID 150549064) has the molecular formula C27H35FN4O3 and a molecular weight of 482.60 g/mol. Its IUPAC name is 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]ethanone
• PubChem CID: 150549064
• Molecular Formula: C27H35FN4O3
• Molecular Weight: 482.60 g/mol
• Exact Mass: 482.27
• IUPAC Name: 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]ethanone
• SMILES: Cc1cc(F)ccc1C1CCN(C(=O)Cn2nc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c3c2CCC3)CC1
• InChI: InChI=1S/C27H35FN4O3/c1-17-13-21(28)7-8-22(17)20-9-11-30(12-10-20)25(33)16-32-24-6-4-5-23(24)26(29-32)27(34)31-14-18(2)35-19(3)15-31/h7-8,13,18-20H,4-6,9-12,14-16H2,1-3H3/t18-,19+
• InChIKey: IHMJKEJHRDBKLF-KDURUIRLSA-N
• XLogP: 3.47
• TPSA: 67.67 Ų
• 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	3.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]ethanone (CID 150549064) is 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]ethanone.

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

The canonical SMILES for 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]ethanone is Cc1cc(F)ccc1C1CCN(C(=O)Cn2nc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c3c2CCC3)CC1.

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

The InChIKey is IHMJKEJHRDBKLF-KDURUIRLSA-N. The full InChI is InChI=1S/C27H35FN4O3/c1-17-13-21(28)7-8-22(17)20-9-11-30(12-10-20)25(33)16-32-24-6-4-5-23(24)26(29-32)27(34)31-14-18(2)35-19(3)15-31/h7-8,13,18-20H,4-6,9-12,14-16H2,1-3H3/t18-,19+.

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

2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]ethanone has a molecular weight of 482.60 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 150549064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).