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

C17H20N2O2 — CID 18111102

IUPAC(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2occc2C)CC1
InChIInChI=1S/C17H20N2O2/c1-13-5-3-4-6-15(13)18-8-10-19(11-9-18)17(20)16-14(2)7-12-21-16/h3-7,12H,8-11H2,1-2H3
InChIKeyNOXBAVIHBAOEKV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.86
Rot. Bonds2

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

(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 18111102) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID18111102
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2occc2C)CC1
InChIInChI=1S/C17H20N2O2/c1-13-5-3-4-6-15(13)18-8-10-19(11-9-18)17(20)16-14(2)7-12-21-16/h3-7,12H,8-11H2,1-2H3
InChIKeyNOXBAVIHBAOEKV-UHFFFAOYSA-N
XLogP2.86
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-methylfuran-2-yl)-[4-(2-methylphenyl)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

(2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 106685645
[4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 43461716
(4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
CID 110695645
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 38575552
[4-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 42946468
(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249489
2,3-dihydro-1,4-benzoxazin-4-yl-(3-methylfuran-2-yl)methanone
CID 47182100
(3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 9151566
3,4-dihydro-1H-isoquinolin-2-yl-(3-methylfuran-2-yl)methanone
CID 18108226
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 2932834
[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 95346651
[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 18111082

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 18111102) is (3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)c2occc2C)CC1.
What is the InChIKey of (3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is NOXBAVIHBAOEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-5-3-4-6-15(13)18-8-10-19(11-9-18)17(20)16-14(2)7-12-21-16/h3-7,12H,8-11H2,1-2H3.
What are the key properties of (3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 284.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 18111102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).