3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one

C17H26N2O — CID 63635456

IUPAC3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one
SMILESCCN1CCN(CCC(=O)c2ccc(C)cc2)CC1C
InChIInChI=1S/C17H26N2O/c1-4-19-12-11-18(13-15(19)3)10-9-17(20)16-7-5-14(2)6-8-16/h5-8,15H,4,9-13H2,1-3H3
InChIKeyWQRPXIYTUQMCSO-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.59
Rot. Bonds5

About 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one

3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one (PubChem CID 63635456) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one
PubChem CID63635456
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one
SMILESCCN1CCN(CCC(=O)c2ccc(C)cc2)CC1C
InChIInChI=1S/C17H26N2O/c1-4-19-12-11-18(13-15(19)3)10-9-17(20)16-7-5-14(2)6-8-16/h5-8,15H,4,9-13H2,1-3H3
InChIKeyWQRPXIYTUQMCSO-UHFFFAOYSA-N
XLogP2.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 63620086
1-(4-methylphenyl)-3-(3-propylpyrrolidin-1-yl)propan-1-one
CID 113418810
3-(2-methyl-1,4-oxazepan-4-yl)-1-(4-methylphenyl)propan-1-one
CID 62972993
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 112628840
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 62612666
3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62613813
1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-one
CID 62612304
3-[(1S,6R)-6-methyl-1-oxo-1,4-thiazepan-4-yl]-1-(4-methylphenyl)propan-1-one
CID 124889612
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 63160197
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]benzoic acid
CID 63609405
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)propan-1-one
CID 104926801

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one (CID 63635456) is 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one is CCN1CCN(CCC(=O)c2ccc(C)cc2)CC1C.
What is the InChIKey of 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one?
The InChIKey is WQRPXIYTUQMCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-19-12-11-18(13-15(19)3)10-9-17(20)16-7-5-14(2)6-8-16/h5-8,15H,4,9-13H2,1-3H3.
What are the key properties of 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one?
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 63635456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).