3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one

C20H24N2O — CID 127121714

IUPAC3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCc1cccc(CCC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O/c1-17-6-5-7-18(16-17)10-11-20(23)22-14-12-21(13-15-22)19-8-3-2-4-9-19/h2-9,16H,10-15H2,1H3
InChIKeyAMAMVHQEHVPGDJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.28
Rot. Bonds4

About 3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one

3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 127121714) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID127121714
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCc1cccc(CCC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O/c1-17-6-5-7-18(16-17)10-11-20(23)22-14-12-21(13-15-22)19-8-3-2-4-9-19/h2-9,16H,10-15H2,1H3
InChIKeyAMAMVHQEHVPGDJ-UHFFFAOYSA-N
XLogP3.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 9348757
3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110817715
1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
CID 55024615
1-[4-(3-methylphenyl)piperazin-1-yl]-3-(3-phenylpropylamino)propan-1-one
CID 109029267
1-[4-(3-bromo-4-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113077319
3-(3-methylphenyl)-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 122341628
4-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzonitrile
CID 41388591
4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid
CID 63123391
1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 51329229
N-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide
CID 110810943
3,3-dimethyl-1-[4-[3-(3-methylphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110799442
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 127121714) is 3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one is Cc1cccc(CCC(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is AMAMVHQEHVPGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-17-6-5-7-18(16-17)10-11-20(23)22-14-12-21(13-15-22)19-8-3-2-4-9-19/h2-9,16H,10-15H2,1H3.
What are the key properties of 3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one?
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 308.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 127121714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).