1-methyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yloxymethyl)piperidin-2-one

C14H20N2O2S — CID 126954576

IUPAC1-methyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yloxymethyl)piperidin-2-one
SMILESCN1CC(COc2nc3c(s2)CCCC3)CCC1=O
InChIInChI=1S/C14H20N2O2S/c1-16-8-10(6-7-13(16)17)9-18-14-15-11-4-2-3-5-12(11)19-14/h10H,2-9H2,1H3
InChIKeyQEYVIZOIOXMZOO-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.27
Rot. Bonds3

About 1-methyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yloxymethyl)piperidin-2-one

1-methyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yloxymethyl)piperidin-2-one (PubChem CID 126954576) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-methyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yloxymethyl)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yloxymethyl)piperidin-2-one
PubChem CID126954576
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-methyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yloxymethyl)piperidin-2-one
SMILESCN1CC(COc2nc3c(s2)CCCC3)CCC1=O
InChIInChI=1S/C14H20N2O2S/c1-16-8-10(6-7-13(16)17)9-18-14-15-11-4-2-3-5-12(11)19-14/h10H,2-9H2,1H3
InChIKeyQEYVIZOIOXMZOO-UHFFFAOYSA-N
XLogP2.27
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-ethyl-1-methylpiperidin-2-one
CID 170386664
5-[(3-bromo-2-pyridinyl)oxymethyl]-1-methylpiperidin-2-one
CID 126955061
2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 165434930
3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 121197644
4-(hydroxymethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrrolidin-2-one
CID 168663252
1-methyl-5-[[1-(4-methylsulfonylphenyl)naphthalen-2-yl]oxymethyl]piperidin-2-one
CID 175644281
3-(methoxymethyl)-N'-methyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrrolidine-1-carboximidamide
CID 111737033
1-methyl-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]piperidin-2-one
CID 138808378
5-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-ylmethyl)-1-methylpiperidin-2-one
CID 121160689
5-amino-1-methylpiperidin-2-one;hydrochloride
CID 67228252
5-amino-1-methylpiperidin-2-one;methane
CID 178188727
1,10-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70718609

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yloxymethyl)piperidin-2-one?
The IUPAC name of 1-methyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yloxymethyl)piperidin-2-one (CID 126954576) is 1-methyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yloxymethyl)piperidin-2-one.
What is the SMILES notation for 1-methyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yloxymethyl)piperidin-2-one?
The canonical SMILES for 1-methyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yloxymethyl)piperidin-2-one is CN1CC(COc2nc3c(s2)CCCC3)CCC1=O.
What is the InChIKey of 1-methyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yloxymethyl)piperidin-2-one?
The InChIKey is QEYVIZOIOXMZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-16-8-10(6-7-13(16)17)9-18-14-15-11-4-2-3-5-12(11)19-14/h10H,2-9H2,1H3.
What are the key properties of 1-methyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yloxymethyl)piperidin-2-one?
1-methyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yloxymethyl)piperidin-2-one has a molecular weight of 280.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yloxymethyl)piperidin-2-one is sourced from PubChem (CID 126954576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).