2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-1-one

C13H25N3OS — CID 115739169

IUPAC2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-1-one
SMILESCC1CN(C(=O)C(C)(C)N2CCNCC2)CCS1
InChIInChI=1S/C13H25N3OS/c1-11-10-15(8-9-18-11)12(17)13(2,3)16-6-4-14-5-7-16/h11,14H,4-10H2,1-3H3
InChIKeyFXGXCLGRFWKHFE-UHFFFAOYSA-N
MW271.43 g/mol
LogP0.63
Rot. Bonds2

About 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-1-one

2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-1-one (PubChem CID 115739169) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-1-one
PubChem CID115739169
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-1-one
SMILESCC1CN(C(=O)C(C)(C)N2CCNCC2)CCS1
InChIInChI=1S/C13H25N3OS/c1-11-10-15(8-9-18-11)12(17)13(2,3)16-6-4-14-5-7-16/h11,14H,4-10H2,1-3H3
InChIKeyFXGXCLGRFWKHFE-UHFFFAOYSA-N
XLogP0.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-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

1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80549868
2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one
CID 113345683
2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 39256559
1-(3-ethylpiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80548544
2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103812458
(4-methoxypiperidin-4-yl)-(2-methylthiomorpholin-4-yl)methanone
CID 119774206
2-methyl-2-piperazin-1-yl-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
CID 80549965
N-[1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidin-3-yl]acetamide
CID 80547621
1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80550106
(3-methylpiperidin-3-yl)-(2-methylthiomorpholin-4-yl)methanone
CID 115747498
methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate
CID 80547378
2-(azetidin-3-ylidene)-1-(2-methylthiomorpholin-4-yl)propan-1-one
CID 116679094

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-1-one (CID 115739169) is 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-1-one is CC1CN(C(=O)C(C)(C)N2CCNCC2)CCS1.
What is the InChIKey of 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-1-one?
The InChIKey is FXGXCLGRFWKHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-11-10-15(8-9-18-11)12(17)13(2,3)16-6-4-14-5-7-16/h11,14H,4-10H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-1-one?
2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-1-one has a molecular weight of 271.43 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 115739169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).