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

C16H17FN2O2 — CID 120736698

IUPAC[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C16H17FN2O2/c1-11-5-8-21-15(11)16(20)19-7-6-18-10-14(19)12-3-2-4-13(17)9-12/h2-5,8-9,14,18H,6-7,10H2,1H3
InChIKeyKEILRUMJZHSTGS-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.51
Rot. Bonds2

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

[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 120736698) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
PubChem CID120736698
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C16H17FN2O2/c1-11-5-8-21-15(11)16(20)19-7-6-18-10-14(19)12-3-2-4-13(17)9-12/h2-5,8-9,14,18H,6-7,10H2,1H3
InChIKeyKEILRUMJZHSTGS-UHFFFAOYSA-N
XLogP2.51
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.51
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-(4-ethylphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone;hydrochloride
CID 120740764
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 100719381
[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
[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 120736765
(5-ethyl-4-methylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120735525
(5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736646
[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 120736320
1-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 120735787

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone (CID 120736698) is [2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is KEILRUMJZHSTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11-5-8-21-15(11)16(20)19-7-6-18-10-14(19)12-3-2-4-13(17)9-12/h2-5,8-9,14,18H,6-7,10H2,1H3.
What are the key properties of [2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 288.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 120736698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).