1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(2S)-2-(hydroxymethyl)morpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone

C27H36N4O4 — CID 151335376

About 1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(2S)-2-(hydroxymethyl)morpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone

1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(2S)-2-(hydroxymethyl)morpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone (PubChem CID 151335376) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(2S)-2-(hydroxymethyl)morpholine-4-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-[(2S)-2-(hydroxymethyl)morpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
• PubChem CID: 151335376
• Molecular Formula: C27H36N4O4
• Molecular Weight: 480.61 g/mol
• Exact Mass: 480.27
• IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(2S)-2-(hydroxymethyl)morpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
• SMILES: Cc1cccc(C2CCN(C(=O)Cn3nc(C(=O)N4CCO[C@H](CO)C4)c4c3CCC4)CC2)c1C
• InChI: InChI=1S/C27H36N4O4/c1-18-5-3-6-22(19(18)2)20-9-11-29(12-10-20)25(33)16-31-24-8-4-7-23(24)26(28-31)27(34)30-13-14-35-21(15-30)17-32/h3,5-6,20-21,32H,4,7-17H2,1-2H3/t21-/m0/s1
• InChIKey: OJIHJTDGBDAQQU-NRFANRHFSA-N
• XLogP: 2.23
• TPSA: 87.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.61
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(2S)-2-(hydroxymethyl)morpholine-4-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-[(2S)-2-(hydroxymethyl)morpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone (CID 151335376) is 1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(2S)-2-(hydroxymethyl)morpholine-4-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-[(2S)-2-(hydroxymethyl)morpholine-4-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-[(2S)-2-(hydroxymethyl)morpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone is Cc1cccc(C2CCN(C(=O)Cn3nc(C(=O)N4CCO[C@H](CO)C4)c4c3CCC4)CC2)c1C.

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

The InChIKey is OJIHJTDGBDAQQU-NRFANRHFSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-18-5-3-6-22(19(18)2)20-9-11-29(12-10-20)25(33)16-31-24-8-4-7-23(24)26(28-31)27(34)30-13-14-35-21(15-30)17-32/h3,5-6,20-21,32H,4,7-17H2,1-2H3/t21-/m0/s1.

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

1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(2S)-2-(hydroxymethyl)morpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone has a molecular weight of 480.61 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2,3-dimethylphenyl)piperidin-1-yl]-2-[3-[(2S)-2-(hydroxymethyl)morpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone is sourced from PubChem (CID 151335376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).