1-(4-acetylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone

C18H26N2O2 — CID 110768031

IUPAC1-(4-acetylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2c(C)c(C)cc(C)c2C)CC1
InChIInChI=1S/C18H26N2O2/c1-12-10-13(2)15(4)17(14(12)3)11-18(22)20-8-6-19(7-9-20)16(5)21/h10H,6-9,11H2,1-5H3
InChIKeyVHNNUUSPQGRSCM-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.15
Rot. Bonds2

About 1-(4-acetylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone

1-(4-acetylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone (PubChem CID 110768031) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
PubChem CID110768031
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2c(C)c(C)cc(C)c2C)CC1
InChIInChI=1S/C18H26N2O2/c1-12-10-13(2)15(4)17(14(12)3)11-18(22)20-8-6-19(7-9-20)16(5)21/h10H,6-9,11H2,1-5H3
InChIKeyVHNNUUSPQGRSCM-UHFFFAOYSA-N
XLogP2.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 98019528
1-(1,4-diazepan-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 94698726
1-(4-propylsulfonylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 110804913
1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 110815666
N-propyl-4-[2-(2,3,5,6-tetramethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813853
5-[4-[2-(2,3,5,6-tetramethylphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110814418
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 110807831
1-(4-acetylpiperazin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone
CID 110774438
1-(4-acetylpiperazin-1-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone
CID 27258718
1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone
CID 110769594
1-(4-acetylpiperazin-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanone
CID 31858024
1-(4-acetylpiperazin-1-yl)-2-(5-chloro-2-methoxy-4-methylphenyl)ethanone
CID 110768671

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone (CID 110768031) is 1-(4-acetylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone is CC(=O)N1CCN(C(=O)Cc2c(C)c(C)cc(C)c2C)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone?
The InChIKey is VHNNUUSPQGRSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12-10-13(2)15(4)17(14(12)3)11-18(22)20-8-6-19(7-9-20)16(5)21/h10H,6-9,11H2,1-5H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone is sourced from PubChem (CID 110768031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).