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

C14H21NO2S — CID 53150843

IUPAC[4-(2-methoxyethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCOCCC1CCN(C(=O)c2sccc2C)CC1
InChIInChI=1S/C14H21NO2S/c1-11-6-10-18-13(11)14(16)15-7-3-12(4-8-15)5-9-17-2/h6,10,12H,3-5,7-9H2,1-2H3
InChIKeyQCOPPGWQMZDNRH-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.95
Rot. Bonds4

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

[4-(2-methoxyethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 53150843) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is [4-(2-methoxyethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID53150843
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name[4-(2-methoxyethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCOCCC1CCN(C(=O)c2sccc2C)CC1
InChIInChI=1S/C14H21NO2S/c1-11-6-10-18-13(11)14(16)15-7-3-12(4-8-15)5-9-17-2/h6,10,12H,3-5,7-9H2,1-2H3
InChIKeyQCOPPGWQMZDNRH-UHFFFAOYSA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiophene-2-carboxylic acid, morpholide
CID 531921
2,6-Dimethylmorpholin-4-yl 2-thienyl ketone
CID 2851287
Ethyl 1-[(3-methyl-2-thienyl)methyl]-3-piperidinecarboxylate
CID 2838029
Ethyl 1-(2-thienylcarbonyl)-4-piperidinecarboxylate
CID 728491
Ethyl 4-(2-methoxyethyl)-1-[(3-methyl-2-thienyl)carbonyl]-4-piperidinecarboxylate
CID 16191813
3-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 25162623
4-[(4-Ethyl-5-methyl-3-thienyl)carbonyl]morpholine
CID 1246298
3-Methyl-1-(3-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 46944072
Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate
CID 2904303
(4-Methylpiperazin-1-yl)(5-methylthiophen-3-yl)methanone
CID 17250257
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-(3-methylthiophen-2-yl)methanone
CID 35436332
Ethyl 3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 49789352

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [4-(2-methoxyethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 53150843) is [4-(2-methoxyethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(2-methoxyethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-(2-methoxyethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is COCCC1CCN(C(=O)c2sccc2C)CC1.
What is the InChIKey of [4-(2-methoxyethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is QCOPPGWQMZDNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11-6-10-18-13(11)14(16)15-7-3-12(4-8-15)5-9-17-2/h6,10,12H,3-5,7-9H2,1-2H3.
What are the key properties of [4-(2-methoxyethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
[4-(2-methoxyethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 267.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 53150843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).