1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone

C11H23N3O — CID 119470224

IUPAC1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(C)CC(=O)N1CCNCC1C
InChIInChI=1S/C11H23N3O/c1-9(2)13(4)8-11(15)14-6-5-12-7-10(14)3/h9-10,12H,5-8H2,1-4H3
InChIKeyYNJSSODKUHQUQQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.15
Rot. Bonds3

About 1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone

1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone (PubChem CID 119470224) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone
PubChem CID119470224
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(C)CC(=O)N1CCNCC1C
InChIInChI=1S/C11H23N3O/c1-9(2)13(4)8-11(15)14-6-5-12-7-10(14)3/h9-10,12H,5-8H2,1-4H3
InChIKeyYNJSSODKUHQUQQ-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone
CID 79001882
3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one
CID 119473625
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 82755732
3-amino-1-(2-methylpiperazin-1-yl)butan-1-one
CID 128919979
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
4-bromo-N-methyl-N-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide;hydrochloride
CID 119472559
2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119472127
[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate
CID 146597799
N,N-diethyl-2-(2-methylpiperazin-1-yl)-2-oxoethanesulfonamide;hydrochloride
CID 119473658
2-(3-methylbutylsulfanyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119472598
(2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 82756259

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone (CID 119470224) is 1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone is CC(C)N(C)CC(=O)N1CCNCC1C.
What is the InChIKey of 1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone?
The InChIKey is YNJSSODKUHQUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(2)13(4)8-11(15)14-6-5-12-7-10(14)3/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone?
1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone has a molecular weight of 213.32 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 119470224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).