2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one

C14H26N2OS — CID 113345683

IUPAC2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one
SMILESCC1CN(C(=O)C(C)(C)C2CCCNC2)CCS1
InChIInChI=1S/C14H26N2OS/c1-11-10-16(7-8-18-11)13(17)14(2,3)12-5-4-6-15-9-12/h11-12,15H,4-10H2,1-3H3
InChIKeyHCRMZPQHVCITSB-UHFFFAOYSA-N
MW270.44 g/mol
LogP1.98
Rot. Bonds2

About 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one

2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one (PubChem CID 113345683) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one
PubChem CID113345683
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one
SMILESCC1CN(C(=O)C(C)(C)C2CCCNC2)CCS1
InChIInChI=1S/C14H26N2OS/c1-11-10-16(7-8-18-11)13(17)14(2,3)12-5-4-6-15-9-12/h11-12,15H,4-10H2,1-3H3
InChIKeyHCRMZPQHVCITSB-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylthiomorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83032479
2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one
CID 83031141
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 112625086
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 114797524
2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-1-one
CID 115739169
3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid
CID 83199346
1-(3-hydroxy-3-methylazetidin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 107219375
1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 103884985
2-[4-(2-methyl-2-piperidin-3-ylpropanoyl)morpholin-2-yl]acetic acid
CID 83200057
3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 102780306
1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83199167
1-(2,5-dimethylmorpholin-4-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83199879

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one (CID 113345683) is 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one is CC1CN(C(=O)C(C)(C)C2CCCNC2)CCS1.
What is the InChIKey of 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one?
The InChIKey is HCRMZPQHVCITSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-11-10-16(7-8-18-11)13(17)14(2,3)12-5-4-6-15-9-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one?
2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one has a molecular weight of 270.44 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 113345683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).