3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one

C16H22N2O3 — CID 110817115

IUPAC3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c1-2-15(19)17-9-11-18(12-10-17)16(20)8-13-21-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyYBYSPVIWDYUOFM-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.54
Rot. Bonds5

About 3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one

3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one (PubChem CID 110817115) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
PubChem CID110817115
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c1-2-15(19)17-9-11-18(12-10-17)16(20)8-13-21-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyYBYSPVIWDYUOFM-UHFFFAOYSA-N
XLogP1.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-(4-benzoylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 112507736
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 108547509
4-(3-phenoxypropanoyl)piperazine-1-sulfonamide
CID 61129937
1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 113075303
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
3-phenoxy-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 113072705
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 25130950
4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid
CID 4740871
3-phenoxy-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one
CID 108569437

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one (CID 110817115) is 3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one is CCC(=O)N1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of 3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one?
The InChIKey is YBYSPVIWDYUOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-15(19)17-9-11-18(12-10-17)16(20)8-13-21-14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3.
What are the key properties of 3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one?
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one has a molecular weight of 290.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110817115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).