[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone

C20H23FN2O2S — CID 55573164

IUPAC[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C20H23FN2O2S/c21-17-5-2-1-4-16(17)19-8-7-15(26-19)14-22-9-11-23(12-10-22)20(24)18-6-3-13-25-18/h1-2,4-5,7-8,18H,3,6,9-14H2
InChIKeyVDWAVBUJADFPHT-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.38
Rot. Bonds4

About [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone

[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 55573164) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID55573164
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C20H23FN2O2S/c21-17-5-2-1-4-16(17)19-8-7-15(26-19)14-22-9-11-23(12-10-22)20(24)18-6-3-13-25-18/h1-2,4-5,7-8,18H,3,6,9-14H2
InChIKeyVDWAVBUJADFPHT-UHFFFAOYSA-N
XLogP3.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone with MolForge

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Related Compounds

N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide
CID 56808058
[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 37399558
[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone
CID 119854290
1-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703611
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
oxolan-2-yl-[4-[(2-phenylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 134704589
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 9237767
[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 15984574
[4-[1-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 90503603
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 134046835
(2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide
CID 35262712
N-[2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 55940485

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 55573164) is [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1.
What is the InChIKey of [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is VDWAVBUJADFPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c21-17-5-2-1-4-16(17)19-8-7-15(26-19)14-22-9-11-23(12-10-22)20(24)18-6-3-13-25-18/h1-2,4-5,7-8,18H,3,6,9-14H2.
What are the key properties of [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 374.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 55573164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).