[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone

C16H17FN2O2 — CID 110293024

IUPAC[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCN1CCN(C(=O)c2ccco2)CC1c1ccccc1F
InChIInChI=1S/C16H17FN2O2/c1-18-8-9-19(16(20)15-7-4-10-21-15)11-14(18)12-5-2-3-6-13(12)17/h2-7,10,14H,8-9,11H2,1H3
InChIKeyLUHSSMSHIBXINX-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.55
Rot. Bonds2

About [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone

[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 110293024) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone
PubChem CID110293024
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCN1CCN(C(=O)c2ccco2)CC1c1ccccc1F
InChIInChI=1S/C16H17FN2O2/c1-18-8-9-19(16(20)15-7-4-10-21-15)11-14(18)12-5-2-3-6-13(12)17/h2-7,10,14H,8-9,11H2,1H3
InChIKeyLUHSSMSHIBXINX-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(3-phenylphenyl)methanone
CID 110293076
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293046
furan-2-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185227
1-[3-[3-(2-fluorophenyl)-4-methylpiperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 110310472
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
furan-2-yl-[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155865559
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one
CID 110310475
(7R)-7-(2-fluorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 40814783
(3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone
CID 110602243
furan-2-yl-(3-methylpiperazin-1-yl)methanone
CID 64980953
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(furan-2-yl)methanone
CID 42239830

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone (CID 110293024) is [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone is CN1CCN(C(=O)c2ccco2)CC1c1ccccc1F.
What is the InChIKey of [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is LUHSSMSHIBXINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-18-8-9-19(16(20)15-7-4-10-21-15)11-14(18)12-5-2-3-6-13(12)17/h2-7,10,14H,8-9,11H2,1H3.
What are the key properties of [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone?
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 288.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 110293024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).