[3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone

C13H19NO2S — CID 52992866

IUPAC[3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCOCC1CCCN(C(=O)c2cc(C)cs2)C1
InChIInChI=1S/C13H19NO2S/c1-10-6-12(17-9-10)13(15)14-5-3-4-11(7-14)8-16-2/h6,9,11H,3-5,7-8H2,1-2H3
InChIKeyZDRWWYVQGUCPEX-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.56
Rot. Bonds3

About [3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone

[3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone (PubChem CID 52992866) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is [3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
PubChem CID52992866
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name[3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCOCC1CCCN(C(=O)c2cc(C)cs2)C1
InChIInChI=1S/C13H19NO2S/c1-10-6-12(17-9-10)13(15)14-5-3-4-11(7-14)8-16-2/h6,9,11H,3-5,7-8H2,1-2H3
InChIKeyZDRWWYVQGUCPEX-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methoxymethyl)piperidin-1-yl]-(4-sulfanylthiophen-2-yl)methanone
CID 107037197
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
(4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 124950556
(4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125024129
(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 97221393
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122268155
(2-chloro-6-methyl-4-pyridinyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 104954666
(4-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113339183
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 90505051
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 124967286
1-(4-methoxythiophene-2-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 79461060
(3-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103841992

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone (CID 52992866) is [3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone is COCC1CCCN(C(=O)c2cc(C)cs2)C1.
What is the InChIKey of [3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The InChIKey is ZDRWWYVQGUCPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10-6-12(17-9-10)13(15)14-5-3-4-11(7-14)8-16-2/h6,9,11H,3-5,7-8H2,1-2H3.
What are the key properties of [3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
[3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone has a molecular weight of 253.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 52992866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).