ethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate

C15H24N2O2S — CID 114509125

IUPACethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NCc2cccs2)CCNCC1CC
InChIInChI=1S/C15H24N2O2S/c1-3-12-10-16-8-7-15(12,14(18)19-4-2)17-11-13-6-5-9-20-13/h5-6,9,12,16-17H,3-4,7-8,10-11H2,1-2H3
InChIKeyLQVWPMBSIWKOAK-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.16
Rot. Bonds6

About ethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate

ethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate (PubChem CID 114509125) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is ethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate
PubChem CID114509125
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nameethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NCc2cccs2)CCNCC1CC
InChIInChI=1S/C15H24N2O2S/c1-3-12-10-16-8-7-15(12,14(18)19-4-2)17-11-13-6-5-9-20-13/h5-6,9,12,16-17H,3-4,7-8,10-11H2,1-2H3
InChIKeyLQVWPMBSIWKOAK-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate
CID 114509075
ethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate
CID 114509111
4-(benzylamino)-3-ethylpiperidine-4-carboxylic acid
CID 114509068
ethyl 3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate
CID 80698525
4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891571
ethyl 2-cyclopropyl-2-(thiophen-2-ylmethylamino)acetate
CID 61310739
3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 106822477
ethyl 4-(2-bromoanilino)-3-methylpiperidine-4-carboxylate
CID 114500563
4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891183
methyl 4-(cyclopropylamino)-3-ethylpiperidine-4-carboxylate
CID 114509064
4-(methoxymethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 120617087
2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 64755354

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate?
The IUPAC name of ethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate (CID 114509125) is ethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate?
The canonical SMILES for ethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate is CCOC(=O)C1(NCc2cccs2)CCNCC1CC.
What is the InChIKey of ethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate?
The InChIKey is LQVWPMBSIWKOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-12-10-16-8-7-15(12,14(18)19-4-2)17-11-13-6-5-9-20-13/h5-6,9,12,16-17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of ethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate?
ethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate has a molecular weight of 296.44 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate is sourced from PubChem (CID 114509125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).