(4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C15H20FN3O2 — CID 66240445

IUPAC(4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESNC1COCC1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H20FN3O2/c16-12-3-1-2-4-14(12)18-5-7-19(8-6-18)15(20)11-9-21-10-13(11)17/h1-4,11,13H,5-10,17H2
InChIKeyMNBBCLNFGXGCCL-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.45
Rot. Bonds2

About (4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 66240445) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID66240445
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name(4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESNC1COCC1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H20FN3O2/c16-12-3-1-2-4-14(12)18-5-7-19(8-6-18)15(20)11-9-21-10-13(11)17/h1-4,11,13H,5-10,17H2
InChIKeyMNBBCLNFGXGCCL-UHFFFAOYSA-N
XLogP0.45
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 66238290
(2-aminocyclopentyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 64823960
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 124513191
(4-ethylpiperazin-1-yl)-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109134358
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119826971
2-adamantyl-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 51191557
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681327
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943475
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione
CID 110703277

Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 66240445) is (4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is NC1COCC1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is MNBBCLNFGXGCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c16-12-3-1-2-4-14(12)18-5-7-19(8-6-18)15(20)11-9-21-10-13(11)17/h1-4,11,13H,5-10,17H2.
What are the key properties of (4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 293.34 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 66240445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).