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

C16H17FN2O2 — CID 51240546

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H17FN2O2/c1-12-6-11-21-15(12)16(20)19-9-7-18(8-10-19)14-4-2-13(17)3-5-14/h2-6,11H,7-10H2,1H3
InChIKeyFVOJRMPAHHNTQK-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.69
Rot. Bonds2

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

[4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 51240546) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
PubChem CID51240546
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H17FN2O2/c1-12-6-11-21-15(12)16(20)19-9-7-18(8-10-19)14-4-2-13(17)3-5-14/h2-6,11H,7-10H2,1H3
InChIKeyFVOJRMPAHHNTQK-UHFFFAOYSA-N
XLogP2.69
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 43461716
(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111102
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 38575552
(4-chloro-3-methyl-1,2-oxazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 5308711
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402898
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
[4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 42946468
[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 47024563
(3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 38458239
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110392830
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one
CID 950132

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone (CID 51240546) is [4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is FVOJRMPAHHNTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-12-6-11-21-15(12)16(20)19-9-7-18(8-10-19)14-4-2-13(17)3-5-14/h2-6,11H,7-10H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 288.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 51240546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).