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

C17H17FN2O3 — CID 32523344

IUPAC(3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1occc1C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H17FN2O3/c1-12-15(5-10-23-12)17(22)20-8-6-19(7-9-20)16(21)13-3-2-4-14(18)11-13/h2-5,10-11H,6-9H2,1H3
InChIKeyBDIJZXUSGGRMHS-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.33
Rot. Bonds2

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

(3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 32523344) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone
PubChem CID32523344
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name(3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1occc1C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H17FN2O3/c1-12-15(5-10-23-12)17(22)20-8-6-19(7-9-20)16(21)13-3-2-4-14(18)11-13/h2-5,10-11H,6-9H2,1H3
InChIKeyBDIJZXUSGGRMHS-UHFFFAOYSA-N
XLogP2.33
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-fluorophenyl)-(2-methylfuran-3-yl)methanone
CID 104789310
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]methanone
CID 38496822
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42150716
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289
[4-(2-methylfuran-3-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 86991537
(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 33014305
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
2,2-dimethyl-1-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021630
(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024442

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone (CID 32523344) is (3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone is Cc1occc1C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is BDIJZXUSGGRMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-12-15(5-10-23-12)17(22)20-8-6-19(7-9-20)16(21)13-3-2-4-14(18)11-13/h2-5,10-11H,6-9H2,1H3.
What are the key properties of (3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 316.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 32523344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).