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

C17H20N2O3 — CID 38575552

IUPAC[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCOc1cccc(N2CCN(C(=O)c3occc3C)CC2)c1
InChIInChI=1S/C17H20N2O3/c1-13-6-11-22-16(13)17(20)19-9-7-18(8-10-19)14-4-3-5-15(12-14)21-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyDLMCZNXCFYOLJO-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.56
Rot. Bonds3

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

[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 38575552) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
PubChem CID38575552
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCOc1cccc(N2CCN(C(=O)c3occc3C)CC2)c1
InChIInChI=1S/C17H20N2O3/c1-13-6-11-22-16(13)17(20)19-9-7-18(8-10-19)14-4-3-5-15(12-14)21-2/h3-6,11-12H,7-10H2,1-2H3
InChIKeyDLMCZNXCFYOLJO-UHFFFAOYSA-N
XLogP2.56
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-aminophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 43461716
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 51240546
[4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 71511329
(5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 120639741
[4-(3-methylphenyl)piperazin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 41430741
(3-methylfuran-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 18111102
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylbenzo[g][1]benzofuran-2-yl)methanone
CID 7494612
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 112789681
[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574396
N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925865

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone (CID 38575552) is [4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone is COc1cccc(N2CCN(C(=O)c3occc3C)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is DLMCZNXCFYOLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13-6-11-22-16(13)17(20)19-9-7-18(8-10-19)14-4-3-5-15(12-14)21-2/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of [4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 38575552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).