methyl 3-(1-thiophen-2-ylethylamino)piperidine-1-carboxylate

C13H20N2O2S — CID 84588214

IUPACmethyl 3-(1-thiophen-2-ylethylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NC(C)c2cccs2)C1
InChIInChI=1S/C13H20N2O2S/c1-10(12-6-4-8-18-12)14-11-5-3-7-15(9-11)13(16)17-2/h4,6,8,10-11,14H,3,5,7,9H2,1-2H3
InChIKeyMLAUCBIEPJLWHD-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.63
Rot. Bonds3

About methyl 3-(1-thiophen-2-ylethylamino)piperidine-1-carboxylate

methyl 3-(1-thiophen-2-ylethylamino)piperidine-1-carboxylate (PubChem CID 84588214) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is methyl 3-(1-thiophen-2-ylethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-thiophen-2-ylethylamino)piperidine-1-carboxylate
PubChem CID84588214
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Namemethyl 3-(1-thiophen-2-ylethylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NC(C)c2cccs2)C1
InChIInChI=1S/C13H20N2O2S/c1-10(12-6-4-8-18-12)14-11-5-3-7-15(9-11)13(16)17-2/h4,6,8,10-11,14H,3,5,7,9H2,1-2H3
InChIKeyMLAUCBIEPJLWHD-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]piperidine-1-carboxylate
CID 97231311
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
tert-butyl 3-(1-thiophen-2-ylpropylamino)azepane-1-carboxylate
CID 107249327
N,N-dimethyl-4-[[(1R)-1-thiophen-2-ylethyl]amino]piperidine-1-carboxamide
CID 83261830
tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate
CID 174899378
tert-butyl (3S)-3-[[(1R)-1-(1H-pyrrol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 97175470
tert-butyl (3S)-3-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 96563343
tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 96563340
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947
methyl (3R)-3-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]amino]piperidine-1-carboxylate
CID 96516984
N-[(1R)-1-thiophen-2-ylethyl]piperidin-3-amine
CID 81398343
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-thiophen-2-ylethylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(1-thiophen-2-ylethylamino)piperidine-1-carboxylate (CID 84588214) is methyl 3-(1-thiophen-2-ylethylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(1-thiophen-2-ylethylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(1-thiophen-2-ylethylamino)piperidine-1-carboxylate is COC(=O)N1CCCC(NC(C)c2cccs2)C1.
What is the InChIKey of methyl 3-(1-thiophen-2-ylethylamino)piperidine-1-carboxylate?
The InChIKey is MLAUCBIEPJLWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(12-6-4-8-18-12)14-11-5-3-7-15(9-11)13(16)17-2/h4,6,8,10-11,14H,3,5,7,9H2,1-2H3.
What are the key properties of methyl 3-(1-thiophen-2-ylethylamino)piperidine-1-carboxylate?
methyl 3-(1-thiophen-2-ylethylamino)piperidine-1-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-thiophen-2-ylethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 84588214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).