3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide

C15H24N2O2S — CID 56790214

IUPAC3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide
SMILESCCOCC1CCCN(C(=O)NCc2sccc2C)C1
InChIInChI=1S/C15H24N2O2S/c1-3-19-11-13-5-4-7-17(10-13)15(18)16-9-14-12(2)6-8-20-14/h6,8,13H,3-5,7,9-11H2,1-2H3,(H,16,18)
InChIKeyBFPVDDHIZDBKTH-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.01
Rot. Bonds5

About 3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide

3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 56790214) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide
PubChem CID56790214
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide
SMILESCCOCC1CCCN(C(=O)NCc2sccc2C)C1
InChIInChI=1S/C15H24N2O2S/c1-3-19-11-13-5-4-7-17(10-13)15(18)16-9-14-12(2)6-8-20-14/h6,8,13H,3-5,7,9-11H2,1-2H3,(H,16,18)
InChIKeyBFPVDDHIZDBKTH-UHFFFAOYSA-N
XLogP3.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97073252
(3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 95905079
N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide
CID 115171574
1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110418083
(3R)-3-(ethoxymethyl)-N-[(3S)-3-phenylbutyl]piperidine-1-carboxamide
CID 95626437
(3R)-3-(ethoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide
CID 97316982
N-butan-2-yl-3-(ethoxymethyl)piperidine-1-carboxamide
CID 110610311
[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 119920391
(E)-1-[3-(ethoxymethyl)piperidin-1-yl]-2-methyl-3-thiophen-2-ylprop-2-en-1-one
CID 110416541
(5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 120633127
3-(ethoxymethyl)-N-[(3-methylimidazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 139004590

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide (CID 56790214) is 3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide is CCOCC1CCCN(C(=O)NCc2sccc2C)C1.
What is the InChIKey of 3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is BFPVDDHIZDBKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-19-11-13-5-4-7-17(10-13)15(18)16-9-14-12(2)6-8-20-14/h6,8,13H,3-5,7,9-11H2,1-2H3,(H,16,18).
What are the key properties of 3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide?
3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 56790214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).