1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one

C20H22N2O3 — CID 112507736

IUPAC1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c23-19(11-16-25-18-9-5-2-6-10-18)21-12-14-22(15-13-21)20(24)17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyVDUDYBCPZOSFKO-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.44
Rot. Bonds5

About 1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one

1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one (PubChem CID 112507736) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
PubChem CID112507736
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22N2O3/c23-19(11-16-25-18-9-5-2-6-10-18)21-12-14-22(15-13-21)20(24)17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyVDUDYBCPZOSFKO-UHFFFAOYSA-N
XLogP2.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798285
1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 108544802
3-phenoxy-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 108569450
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798374
3-phenoxy-1-[4-(3,4,5-trihydroxybenzoyl)piperazin-1-yl]propan-1-one
CID 108534866
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110802801
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 34478048
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 108536488
3-[4-(3-phenoxypropanoyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 110398614
1-(4-benzoylpiperazin-1-yl)-4-(3-bromophenoxy)butan-1-one
CID 112792150

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one?
The IUPAC name of 1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one (CID 112507736) is 1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one.
What is the SMILES notation for 1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one?
The canonical SMILES for 1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one?
The InChIKey is VDUDYBCPZOSFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(11-16-25-18-9-5-2-6-10-18)21-12-14-22(15-13-21)20(24)17-7-3-1-4-8-17/h1-10H,11-16H2.
What are the key properties of 1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one?
1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one has a molecular weight of 338.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one is sourced from PubChem (CID 112507736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).