2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one

C20H24N2O2 — CID 82266153

IUPAC2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCC(CN1CCNCC1)C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-16(15-22-13-11-21-12-14-22)20(23)17-7-9-19(10-8-17)24-18-5-3-2-4-6-18/h2-10,16,21H,11-15H2,1H3
InChIKeyDPKQONJUKCKRHN-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.20
Rot. Bonds6

About 2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one

2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82266153) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one
PubChem CID82266153
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one
SMILESCC(CN1CCNCC1)C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H24N2O2/c1-16(15-22-13-11-21-12-14-22)20(23)17-7-9-19(10-8-17)24-18-5-3-2-4-6-18/h2-10,16,21H,11-15H2,1H3
InChIKeyDPKQONJUKCKRHN-UHFFFAOYSA-N
XLogP3.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hexoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82263314
(2S)-2-methyl-3-[4-[(2R)-2-methyl-3-oxo-3-phenylpropyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 92774232
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
1-(3-bromophenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 116924027
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
CID 62613125
2-methyl-1-naphthalen-1-yl-3-piperazin-1-ylpropan-1-one
CID 82262999
2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one
CID 3599580
1-(3,6-dimethyl-2-propan-2-yloxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266866
1-(2-methyl-4-phenoxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264638
3-(4-tert-butylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-one
CID 62613502
3-(4-benzylpiperazin-1-yl)-2-methyl-1-(4-methylphenyl)propan-1-one
CID 12952312
2-methyl-3-piperazin-1-yl-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one
CID 82263601

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one (CID 82266153) is 2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one is CC(CN1CCNCC1)C(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is DPKQONJUKCKRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16(15-22-13-11-21-12-14-22)20(23)17-7-9-19(10-8-17)24-18-5-3-2-4-6-18/h2-10,16,21H,11-15H2,1H3.
What are the key properties of 2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one?
2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 324.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82266153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).