1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(furan-2-ylmethylidene)-4-hydroxypiperidin-1-yl]ethanone

C21H22FNO3 — CID 68766575

IUPAC1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(furan-2-ylmethylidene)-4-hydroxypiperidin-1-yl]ethanone
SMILESO=C(C1CC1)C(c1ccccc1F)N1CCC(O)/C(=C\c2ccco2)C1
InChIInChI=1S/C21H22FNO3/c22-18-6-2-1-5-17(18)20(21(25)14-7-8-14)23-10-9-19(24)15(13-23)12-16-4-3-11-26-16/h1-6,11-12,14,19-20,24H,7-10,13H2/b15-12-
InChIKeyNUXXOMNTUOIYDU-QINSGFPZSA-N
MW355.41 g/mol
LogP3.59
Rot. Bonds5

About 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(furan-2-ylmethylidene)-4-hydroxypiperidin-1-yl]ethanone

1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(furan-2-ylmethylidene)-4-hydroxypiperidin-1-yl]ethanone (PubChem CID 68766575) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(furan-2-ylmethylidene)-4-hydroxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(furan-2-ylmethylidene)-4-hydroxypiperidin-1-yl]ethanone
PubChem CID68766575
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(furan-2-ylmethylidene)-4-hydroxypiperidin-1-yl]ethanone
SMILESO=C(C1CC1)C(c1ccccc1F)N1CCC(O)/C(=C\c2ccco2)C1
InChIInChI=1S/C21H22FNO3/c22-18-6-2-1-5-17(18)20(21(25)14-7-8-14)23-10-9-19(24)15(13-23)12-16-4-3-11-26-16/h1-6,11-12,14,19-20,24H,7-10,13H2/b15-12-
InChIKeyNUXXOMNTUOIYDU-QINSGFPZSA-N
XLogP3.59
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(furan-2-ylmethylidene)-4-hydroxypiperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(furan-2-ylmethylidene)-4-hydroxypiperidin-1-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(furan-2-ylmethylidene)-4-hydroxypiperidin-1-yl]ethanone (CID 68766575) is 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(furan-2-ylmethylidene)-4-hydroxypiperidin-1-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(furan-2-ylmethylidene)-4-hydroxypiperidin-1-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(furan-2-ylmethylidene)-4-hydroxypiperidin-1-yl]ethanone is O=C(C1CC1)C(c1ccccc1F)N1CCC(O)/C(=C\c2ccco2)C1.
What is the InChIKey of 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(furan-2-ylmethylidene)-4-hydroxypiperidin-1-yl]ethanone?
The InChIKey is NUXXOMNTUOIYDU-QINSGFPZSA-N. The full InChI is InChI=1S/C21H22FNO3/c22-18-6-2-1-5-17(18)20(21(25)14-7-8-14)23-10-9-19(24)15(13-23)12-16-4-3-11-26-16/h1-6,11-12,14,19-20,24H,7-10,13H2/b15-12-.
What are the key properties of 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(furan-2-ylmethylidene)-4-hydroxypiperidin-1-yl]ethanone?
1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(furan-2-ylmethylidene)-4-hydroxypiperidin-1-yl]ethanone has a molecular weight of 355.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-fluorophenyl)-2-[(3Z)-3-(furan-2-ylmethylidene)-4-hydroxypiperidin-1-yl]ethanone is sourced from PubChem (CID 68766575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).