1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone

C18H20N2O4 — CID 32531171

IUPAC1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C18H20N2O4/c1-14-3-2-4-16(11-14)24-13-17(21)19-6-8-20(9-7-19)18(22)15-5-10-23-12-15/h2-5,10-12H,6-9,13H2,1H3
InChIKeyBXWQDIQHUCRHSW-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.95
Rot. Bonds4

About 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone

1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone (PubChem CID 32531171) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
PubChem CID32531171
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2CCN(C(=O)c3ccoc3)CC2)c1
InChIInChI=1S/C18H20N2O4/c1-14-3-2-4-16(11-14)24-13-17(21)19-6-8-20(9-7-19)18(22)15-5-10-23-12-15/h2-5,10-12H,6-9,13H2,1H3
InChIKeyBXWQDIQHUCRHSW-UHFFFAOYSA-N
XLogP1.95
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoic acid
CID 2050329
4-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]benzoate
CID 2050328
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-methoxy-4-methylphenoxy)ethanone
CID 32528733
2-(3-methylphenoxy)-1-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone
CID 1072097
1-[4-(3-methylbenzoyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110294235
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
ethyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 892980
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide
CID 87016342
tert-butyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 110673124
N'-[2-(3-methylphenoxy)acetyl]furan-3-carbohydrazide
CID 51264727
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 1072062
1-[4-[2-(3-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796496

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The IUPAC name of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone (CID 32531171) is 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone is Cc1cccc(OCC(=O)N2CCN(C(=O)c3ccoc3)CC2)c1.
What is the InChIKey of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
The InChIKey is BXWQDIQHUCRHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-14-3-2-4-16(11-14)24-13-17(21)19-6-8-20(9-7-19)18(22)15-5-10-23-12-15/h2-5,10-12H,6-9,13H2,1H3.
What are the key properties of 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone?
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone has a molecular weight of 328.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone is sourced from PubChem (CID 32531171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).