2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one

C17H26N2O — CID 119578542

IUPAC2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one
SMILESCCc1ccc(C(C)(C)C(=O)N2CCNC(C)C2)cc1
InChIInChI=1S/C17H26N2O/c1-5-14-6-8-15(9-7-14)17(3,4)16(20)19-11-10-18-13(2)12-19/h6-9,13,18H,5,10-12H2,1-4H3
InChIKeyPDGNBWCMHXFGKB-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.35
Rot. Bonds3

About 2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one

2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one (PubChem CID 119578542) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one
PubChem CID119578542
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one
SMILESCCc1ccc(C(C)(C)C(=O)N2CCNC(C)C2)cc1
InChIInChI=1S/C17H26N2O/c1-5-14-6-8-15(9-7-14)17(3,4)16(20)19-11-10-18-13(2)12-19/h6-9,13,18H,5,10-12H2,1-4H3
InChIKeyPDGNBWCMHXFGKB-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 76800407
2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 119577501
(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426419
2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 111824454
1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one
CID 119374869
2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119576796
4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
CID 119358140
1-[(3R)-3-methylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 81426431
1-[(3aS,6aR)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]-2-(4-ethylphenyl)-2-methylpropan-1-one
CID 136587230
2-(4-methoxyphenyl)-2-methyl-1-(5-methyl-1,4-diazepan-1-yl)propan-1-one
CID 82250793
2-[1-[2-(4-ethylphenyl)-2-methylpropanoyl]piperidin-4-yl]acetic acid
CID 120684662
2-(4-chlorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 81428539

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one (CID 119578542) is 2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one is CCc1ccc(C(C)(C)C(=O)N2CCNC(C)C2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one?
The InChIKey is PDGNBWCMHXFGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-14-6-8-15(9-7-14)17(3,4)16(20)19-11-10-18-13(2)12-19/h6-9,13,18H,5,10-12H2,1-4H3.
What are the key properties of 2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one?
2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 119578542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).