[3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride

C11H21ClN2O2S — CID 119322524

IUPAC[3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
SMILESCOCC1CCCN(C(=O)C2CSCN2)C1.Cl
InChIInChI=1S/C11H20N2O2S.ClH/c1-15-6-9-3-2-4-13(5-9)11(14)10-7-16-8-12-10;/h9-10,12H,2-8H2,1H3;1H
InChIKeyOVYLJYGAJJHBNJ-UHFFFAOYSA-N
MW280.82 g/mol
LogP0.96
Rot. Bonds3

About [3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride

[3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride (PubChem CID 119322524) has the molecular formula C11H21ClN2O2S and a molecular weight of 280.82 g/mol. Its IUPAC name is [3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
PubChem CID119322524
Molecular FormulaC11H21ClN2O2S
Molecular Weight280.82 g/mol
Exact Mass280.10
IUPAC Name[3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
SMILESCOCC1CCCN(C(=O)C2CSCN2)C1.Cl
InChIInChI=1S/C11H20N2O2S.ClH/c1-15-6-9-3-2-4-13(5-9)11(14)10-7-16-8-12-10;/h9-10,12H,2-8H2,1H3;1H
InChIKeyOVYLJYGAJJHBNJ-UHFFFAOYSA-N
XLogP0.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 43590441
3-[(3R)-1-[(4R)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]propanamide
CID 124592205
[2-(methoxymethyl)morpholin-4-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119328879
[4-(cyclopentylmethoxy)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 91645145
(4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119275333
[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 54874273
N-[(3S)-1-[(4S)-1,3-thiazolidine-4-carbonyl]piperidin-3-yl]methanesulfonamide
CID 93371379
2-amino-2-ethyl-1-[3-(methoxymethyl)piperidin-1-yl]butan-1-one
CID 106586761
(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 131101939
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119322528
[3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 63166761
[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
CID 107356430

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride (CID 119322524) is [3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The canonical SMILES for [3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride is COCC1CCCN(C(=O)C2CSCN2)C1.Cl.
What is the InChIKey of [3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
The InChIKey is OVYLJYGAJJHBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S.ClH/c1-15-6-9-3-2-4-13(5-9)11(14)10-7-16-8-12-10;/h9-10,12H,2-8H2,1H3;1H.
What are the key properties of [3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride?
[3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride has a molecular weight of 280.82 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119322524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).