ethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate

C15H24N2O2S — CID 112543760

IUPACethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate
SMILESCCOC(=O)NC1CC(c2cccs2)CN(C(C)C)C1
InChIInChI=1S/C15H24N2O2S/c1-4-19-15(18)16-13-8-12(14-6-5-7-20-14)9-17(10-13)11(2)3/h5-7,11-13H,4,8-10H2,1-3H3,(H,16,18)
InChIKeyOXYKNNJYPMGVBT-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.06
Rot. Bonds4

About ethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate

ethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate (PubChem CID 112543760) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is ethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate
PubChem CID112543760
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nameethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate
SMILESCCOC(=O)NC1CC(c2cccs2)CN(C(C)C)C1
InChIInChI=1S/C15H24N2O2S/c1-4-19-15(18)16-13-8-12(14-6-5-7-20-14)9-17(10-13)11(2)3/h5-7,11-13H,4,8-10H2,1-3H3,(H,16,18)
InChIKeyOXYKNNJYPMGVBT-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)acetamide
CID 112541749
tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate
CID 112544264
methyl N-(1-cyclopropyl-5-thiophen-2-ylpiperidin-3-yl)carbamate
CID 112543340
1-ethyl-N-methyl-5-thiophen-2-ylpiperidin-3-amine
CID 83989566
tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate
CID 103759595
ethyl 3-oxo-2-(2-thiophen-2-ylcyclopropyl)propanoate
CID 88519357
N-(2,2-difluoroethyl)-1-ethyl-5-thiophen-2-ylpiperidin-3-amine
CID 83992794
ethyl N-(5-methyl-1-phenylpiperidin-3-yl)carbamate
CID 112543896
hydroxymethyl 3-thiophen-2-ylpyrrolidine-1-carboxylate
CID 154081566
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112543950
ethyl N-[1-(cyanomethyl)-5-(4-methylphenyl)piperidin-3-yl]carbamate
CID 112544182

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate?
The IUPAC name of ethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate (CID 112543760) is ethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate.
What is the SMILES notation for ethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate?
The canonical SMILES for ethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate is CCOC(=O)NC1CC(c2cccs2)CN(C(C)C)C1.
What is the InChIKey of ethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate?
The InChIKey is OXYKNNJYPMGVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-19-15(18)16-13-8-12(14-6-5-7-20-14)9-17(10-13)11(2)3/h5-7,11-13H,4,8-10H2,1-3H3,(H,16,18).
What are the key properties of ethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate?
ethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate has a molecular weight of 296.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-propan-2-yl-5-thiophen-2-ylpiperidin-3-yl)carbamate is sourced from PubChem (CID 112543760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).