3-(oxetan-2-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one

C20H28N2O3 — CID 138034031

IUPAC3-(oxetan-2-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
SMILESCC(C)c1ccc(C(=O)N2CCN(C(=O)CCC3CCO3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-15(2)16-3-5-17(6-4-16)20(24)22-12-10-21(11-13-22)19(23)8-7-18-9-14-25-18/h3-6,15,18H,7-14H2,1-2H3
InChIKeyGQCOCOZJDFZUNQ-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.66
Rot. Bonds5

About 3-(oxetan-2-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one

3-(oxetan-2-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 138034031) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 3-(oxetan-2-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(oxetan-2-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
PubChem CID138034031
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name3-(oxetan-2-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
SMILESCC(C)c1ccc(C(=O)N2CCN(C(=O)CCC3CCO3)CC2)cc1
InChIInChI=1S/C20H28N2O3/c1-15(2)16-3-5-17(6-4-16)20(24)22-12-10-21(11-13-22)19(23)8-7-18-9-14-25-18/h3-6,15,18H,7-14H2,1-2H3
InChIKeyGQCOCOZJDFZUNQ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-[(2S)-oxetan-2-yl]propan-1-one
CID 164631101
3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 63953733
[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 81212043
3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 108569450
1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 110802073
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
4-chloro-N-[3-oxo-3-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propyl]benzamide
CID 38027747
4-(2-methylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]butan-1-one
CID 108569182
3,3-dimethyl-1-[4-(4-propan-2-ylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 110798419
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574956
3-(1-benzoylpiperidin-4-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 91913389
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535

Frequently Asked Questions

What is the IUPAC name of 3-(oxetan-2-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(oxetan-2-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one (CID 138034031) is 3-(oxetan-2-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(oxetan-2-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(oxetan-2-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one is CC(C)c1ccc(C(=O)N2CCN(C(=O)CCC3CCO3)CC2)cc1.
What is the InChIKey of 3-(oxetan-2-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is GQCOCOZJDFZUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15(2)16-3-5-17(6-4-16)20(24)22-12-10-21(11-13-22)19(23)8-7-18-9-14-25-18/h3-6,15,18H,7-14H2,1-2H3.
What are the key properties of 3-(oxetan-2-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one?
3-(oxetan-2-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 344.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-2-yl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 138034031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).