(5-ethyl-4-methylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone

C18H21FN2O2 — CID 120735525

IUPAC(5-ethyl-4-methylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESCCc1oc(C(=O)N2CCNCC2c2cccc(F)c2)cc1C
InChIInChI=1S/C18H21FN2O2/c1-3-16-12(2)9-17(23-16)18(22)21-8-7-20-11-15(21)13-5-4-6-14(19)10-13/h4-6,9-10,15,20H,3,7-8,11H2,1-2H3
InChIKeyQOHPMADMMAWSGG-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.08
Rot. Bonds3

About (5-ethyl-4-methylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone

(5-ethyl-4-methylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 120735525) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (5-ethyl-4-methylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-4-methylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
PubChem CID120735525
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(5-ethyl-4-methylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
SMILESCCc1oc(C(=O)N2CCNCC2c2cccc(F)c2)cc1C
InChIInChI=1S/C18H21FN2O2/c1-3-16-12(2)9-17(23-16)18(22)21-8-7-20-11-15(21)13-5-4-6-14(19)10-13/h4-6,9-10,15,20H,3,7-8,11H2,1-2H3
InChIKeyQOHPMADMMAWSGG-UHFFFAOYSA-N
XLogP3.08
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737581
[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 120736698
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
(3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736289
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
(4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736069
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120736229
[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 120736765
[2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone
CID 120736025
(1,5-dimethyltriazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737933

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4-methylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-ethyl-4-methylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone (CID 120735525) is (5-ethyl-4-methylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-4-methylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-ethyl-4-methylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone is CCc1oc(C(=O)N2CCNCC2c2cccc(F)c2)cc1C.
What is the InChIKey of (5-ethyl-4-methylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is QOHPMADMMAWSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-3-16-12(2)9-17(23-16)18(22)21-8-7-20-11-15(21)13-5-4-6-14(19)10-13/h4-6,9-10,15,20H,3,7-8,11H2,1-2H3.
What are the key properties of (5-ethyl-4-methylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone?
(5-ethyl-4-methylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 316.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4-methylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120735525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).