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

C26H33FN4O3 — CID 147901333

IUPAC2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperidin-1-yl]ethanone
SMILESC[C@@H]1CN(C(=O)c2nn(CC(=O)N3CCC(c4ccccc4F)CC3)c3c2CCC3)C[C@H](C)O1
InChIInChI=1S/C26H33FN4O3/c1-17-14-30(15-18(2)34-17)26(33)25-21-7-5-9-23(21)31(28-25)16-24(32)29-12-10-19(11-13-29)20-6-3-4-8-22(20)27/h3-4,6,8,17-19H,5,7,9-16H2,1-2H3/t17-,18+
InChIKeyIEIAALYZOCPDGG-HDICACEKSA-N
MW468.57 g/mol
LogP3.17
Rot. Bonds4

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

2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperidin-1-yl]ethanone (PubChem CID 147901333) has the molecular formula C26H33FN4O3 and a molecular weight of 468.57 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-(2-fluorophenyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperidin-1-yl]ethanone
PubChem CID147901333
Molecular FormulaC26H33FN4O3
Molecular Weight468.57 g/mol
Exact Mass468.25
IUPAC Name2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperidin-1-yl]ethanone
SMILESC[C@@H]1CN(C(=O)c2nn(CC(=O)N3CCC(c4ccccc4F)CC3)c3c2CCC3)C[C@H](C)O1
InChIInChI=1S/C26H33FN4O3/c1-17-14-30(15-18(2)34-17)26(33)25-21-7-5-9-23(21)31(28-25)16-24(32)29-12-10-19(11-13-29)20-6-3-4-8-22(20)27/h3-4,6,8,17-19H,5,7,9-16H2,1-2H3/t17-,18+
InChIKeyIEIAALYZOCPDGG-HDICACEKSA-N
XLogP3.17
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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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-(2-fluorophenyl)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-(2-fluorophenyl)piperidin-1-yl]ethanone (CID 147901333) is 2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2-fluorophenyl)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-(2-fluorophenyl)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-(2-fluorophenyl)piperidin-1-yl]ethanone is C[C@@H]1CN(C(=O)c2nn(CC(=O)N3CCC(c4ccccc4F)CC3)c3c2CCC3)C[C@H](C)O1.
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-(2-fluorophenyl)piperidin-1-yl]ethanone?
The InChIKey is IEIAALYZOCPDGG-HDICACEKSA-N. The full InChI is InChI=1S/C26H33FN4O3/c1-17-14-30(15-18(2)34-17)26(33)25-21-7-5-9-23(21)31(28-25)16-24(32)29-12-10-19(11-13-29)20-6-3-4-8-22(20)27/h3-4,6,8,17-19H,5,7,9-16H2,1-2H3/t17-,18+.
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-(2-fluorophenyl)piperidin-1-yl]ethanone?
2-[3-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-1-[4-(2-fluorophenyl)piperidin-1-yl]ethanone has a molecular weight of 468.57 g/mol, XLogP of 3.17, 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-(2-fluorophenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 147901333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).