1-(2,4-dimethylphenyl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-one

C25H28N2O — CID 10667020

IUPAC1-(2,4-dimethylphenyl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(C(=O)CCN2CCN(c3cccc4ccccc34)CC2)c(C)c1
InChIInChI=1S/C25H28N2O/c1-19-10-11-22(20(2)18-19)25(28)12-13-26-14-16-27(17-15-26)24-9-5-7-21-6-3-4-8-23(21)24/h3-11,18H,12-17H2,1-2H3
InChIKeyLFGBBYZGULDWCQ-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.85
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-one

1-(2,4-dimethylphenyl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-one (PubChem CID 10667020) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-one
PubChem CID10667020
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name1-(2,4-dimethylphenyl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-one
SMILESCc1ccc(C(=O)CCN2CCN(c3cccc4ccccc34)CC2)c(C)c1
InChIInChI=1S/C25H28N2O/c1-19-10-11-22(20(2)18-19)25(28)12-13-26-14-16-27(17-15-26)24-9-5-7-21-6-3-4-8-23(21)24/h3-11,18H,12-17H2,1-2H3
InChIKeyLFGBBYZGULDWCQ-UHFFFAOYSA-N
XLogP4.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,4-dimethylphenyl)-3-oxopropyl]piperidin-4-one
CID 82484142
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064821
1-(2,4-dimethylphenyl)-3-morpholin-4-ylpropan-1-one chloride
CID 45108470
1-naphthalen-1-yl-4-pentylpiperazine
CID 20649330
1-(1-benzothiophen-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 11728223
1-(4-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050959
1-(2,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050255
3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-1-(5-methyl-1-benzothiophen-3-yl)propan-1-one
CID 11452959
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 109019781
ethyl 4-[4-[3-(1-benzothiophen-3-yl)-3-oxopropyl]piperazin-1-yl]-1H-indole-2-carboxylate
CID 150734821
[2-(2,4-dimethylphenyl)-2-oxoethyl] naphthalene-1-carboxylate
CID 7785268
1-(4-methylnaphthalen-1-yl)-3-morpholin-4-ylpropan-1-one
CID 82050956

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-one (CID 10667020) is 1-(2,4-dimethylphenyl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-one is Cc1ccc(C(=O)CCN2CCN(c3cccc4ccccc34)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-one?
The InChIKey is LFGBBYZGULDWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-19-10-11-22(20(2)18-19)25(28)12-13-26-14-16-27(17-15-26)24-9-5-7-21-6-3-4-8-23(21)24/h3-11,18H,12-17H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-one?
1-(2,4-dimethylphenyl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-one has a molecular weight of 372.51 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(4-naphthalen-1-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 10667020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).