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

C16H17ClN2O2 — CID 106685645

IUPAC(2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C16H17ClN2O2/c1-12-4-2-3-5-14(12)18-7-9-19(10-8-18)16(20)13-6-11-21-15(13)17/h2-6,11H,7-10H2,1H3
InChIKeyLLXCYDBISMZMKT-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.20
Rot. Bonds2

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

(2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 106685645) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID106685645
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name(2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2ccoc2Cl)CC1
InChIInChI=1S/C16H17ClN2O2/c1-12-4-2-3-5-14(12)18-7-9-19(10-8-18)16(20)13-6-11-21-15(13)17/h2-6,11H,7-10H2,1H3
InChIKeyLLXCYDBISMZMKT-UHFFFAOYSA-N
XLogP3.20
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111102
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 2932834
(2-bromophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249489
(2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 106685249
(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 106685117
[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 4615764
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
[4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 113079338
1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 25236632
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
(2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 106685458

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 106685645) is (2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)c2ccoc2Cl)CC1.
What is the InChIKey of (2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is LLXCYDBISMZMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-12-4-2-3-5-14(12)18-7-9-19(10-8-18)16(20)13-6-11-21-15(13)17/h2-6,11H,7-10H2,1H3.
What are the key properties of (2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
(2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 304.78 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 106685645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).