3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one

C19H22N2O2 — CID 83951681

IUPAC3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCc1cccc(Oc2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C19H22N2O2/c22-19(21-13-11-20-12-14-21)10-9-16-5-4-8-18(15-16)23-17-6-2-1-3-7-17/h1-8,15,20H,9-14H2
InChIKeyGUUHOEIHKYUNPE-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.84
Rot. Bonds5

About 3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one

3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one (PubChem CID 83951681) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one
PubChem CID83951681
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCc1cccc(Oc2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C19H22N2O2/c22-19(21-13-11-20-12-14-21)10-9-16-5-4-8-18(15-16)23-17-6-2-1-3-7-17/h1-8,15,20H,9-14H2
InChIKeyGUUHOEIHKYUNPE-UHFFFAOYSA-N
XLogP2.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[3-(hydroxymethyl)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one
CID 143559384
3-(3-bromophenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402089
3-(3-aminophenyl)-1-(1,4-diazepan-1-yl)propan-1-one
CID 115341158
1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone
CID 119400816
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
3-(3-cyclopentyloxyphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119580262
tert-butyl 4-[(3-phenoxyphenyl)methyl]piperazine-1-carboxylate;1-[(3-phenoxyphenyl)methyl]piperazine
CID 157205694
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
3-(3-methoxyphenyl)-1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one
CID 110399607
3-[2-[3-(dimethylamino)phenoxy]phenyl]-1-piperazin-1-ylpropan-1-one;toluene
CID 143559319
3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982352
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one (CID 83951681) is 3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one is O=C(CCc1cccc(Oc2ccccc2)c1)N1CCNCC1.
What is the InChIKey of 3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is GUUHOEIHKYUNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(21-13-11-20-12-14-21)10-9-16-5-4-8-18(15-16)23-17-6-2-1-3-7-17/h1-8,15,20H,9-14H2.
What are the key properties of 3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one?
3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 310.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 83951681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).