1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone

C11H22N2O — CID 163675775

IUPAC1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CC(C)N(C(C)C)C(C)C1
InChIInChI=1S/C11H22N2O/c1-8(2)13-9(3)6-12(11(5)14)7-10(13)4/h8-10H,6-7H2,1-5H3
InChIKeyJGOIPKWSKRIQOL-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.34
Rot. Bonds1

About 1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone

1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 163675775) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID163675775
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CC(C)N(C(C)C)C(C)C1
InChIInChI=1S/C11H22N2O/c1-8(2)13-9(3)6-12(11(5)14)7-10(13)4/h8-10H,6-7H2,1-5H3
InChIKeyJGOIPKWSKRIQOL-UHFFFAOYSA-N
XLogP1.34
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5S)-N,N,3,5-tetramethyl-4-propan-2-ylpiperazine-1-carboxamide
CID 146478698
1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
CID 70209663
1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone
CID 134573108
(2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid
CID 175521904
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
ethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine
CID 171506336
1-(1-acetylazetidin-3-yl)ethanone;ethane
CID 144882455
1-(1-acetyl-4-methylpyrrolidin-3-yl)ethanone
CID 156736539
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
1-[3-(2-methylpropyl)azetidin-1-yl]ethanone
CID 130318512
(2R,5R)-2,5-dimethyl-1-propan-2-ylpyrrolidine
CID 58977160
1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]ethanone
CID 90594084

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone (CID 163675775) is 1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone is CC(=O)N1CC(C)N(C(C)C)C(C)C1.
What is the InChIKey of 1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is JGOIPKWSKRIQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)13-9(3)6-12(11(5)14)7-10(13)4/h8-10H,6-7H2,1-5H3.
What are the key properties of 1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone?
1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 198.31 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 163675775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).