3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

C20H28N2O3 — CID 110366006

IUPAC3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCCc1ccc(CCC(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-2-16-5-7-17(8-6-16)9-10-19(23)21-11-13-22(14-12-21)20(24)18-4-3-15-25-18/h5-8,18H,2-4,9-15H2,1H3
InChIKeyDXLSIXVOMDLVMX-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.03
Rot. Bonds5

About 3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 110366006) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID110366006
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCCc1ccc(CCC(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-2-16-5-7-17(8-6-16)9-10-19(23)21-11-13-22(14-12-21)20(24)18-4-3-15-25-18/h5-8,18H,2-4,9-15H2,1H3
InChIKeyDXLSIXVOMDLVMX-UHFFFAOYSA-N
XLogP2.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one
CID 55451032
3-(3-fluorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110797568
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796627
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 78790937
2-(4-tert-butylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 110801219
[(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26776175
3-(2-fluorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110797569
(2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 51544326
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 110396133
4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566010
2-(4-fluorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110797537
2-(1-methylpyrrol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 110801246

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one (CID 110366006) is 3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one is CCc1ccc(CCC(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is DXLSIXVOMDLVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-2-16-5-7-17(8-6-16)9-10-19(23)21-11-13-22(14-12-21)20(24)18-4-3-15-25-18/h5-8,18H,2-4,9-15H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one?
3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 344.45 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110366006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).