3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one

C10H21N3O — CID 82755732

IUPAC3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
SMILESC[C@H]1CNCCN1C(=O)CCN(C)C
InChIInChI=1S/C10H21N3O/c1-9-8-11-5-7-13(9)10(14)4-6-12(2)3/h9,11H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyHCDTYWPGBFRTPE-VIFPVBQESA-N
MW199.30 g/mol
LogP-0.24
Rot. Bonds3

About 3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one

3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one (PubChem CID 82755732) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
PubChem CID82755732
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
SMILESC[C@H]1CNCCN1C(=O)CCN(C)C
InChIInChI=1S/C10H21N3O/c1-9-8-11-5-7-13(9)10(14)4-6-12(2)3/h9,11H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyHCDTYWPGBFRTPE-VIFPVBQESA-N
XLogP-0.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one 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

2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone
CID 79001882
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
CID 115273038
1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 119470224
3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one
CID 119473625
[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate
CID 146597799
4-ethoxy-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one
CID 82705112
3-cyclohexyl-1-(2-methylpiperazin-1-yl)propan-1-one
CID 62672939
2-(2-methoxyethoxy)-1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 103866742
4-cyclobutyl-1-(2-methylpiperazin-1-yl)butan-1-one
CID 115273063
3-methoxy-3-methyl-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one
CID 103021646
3-(2,2-difluoroethoxy)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one
CID 103209719

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one (CID 82755732) is 3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one is C[C@H]1CNCCN1C(=O)CCN(C)C.
What is the InChIKey of 3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one?
The InChIKey is HCDTYWPGBFRTPE-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21N3O/c1-9-8-11-5-7-13(9)10(14)4-6-12(2)3/h9,11H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of 3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one?
3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one has a molecular weight of 199.30 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 82755732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).