methyl N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]carbamate

C13H20N2O2S — CID 71787067

IUPACmethyl N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]carbamate
SMILESCOC(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C13H20N2O2S/c1-17-13(16)14-6-9-15-7-4-11(5-8-15)12-3-2-10-18-12/h2-3,10-11H,4-9H2,1H3,(H,14,16)
InChIKeyDMHCOLRXYXEIDK-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.28
Rot. Bonds4

About methyl N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]carbamate

methyl N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]carbamate (PubChem CID 71787067) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is methyl N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]carbamate
PubChem CID71787067
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Namemethyl N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]carbamate
SMILESCOC(=O)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C13H20N2O2S/c1-17-13(16)14-6-9-15-7-4-11(5-8-15)12-3-2-10-18-12/h2-3,10-11H,4-9H2,1H3,(H,14,16)
InChIKeyDMHCOLRXYXEIDK-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]carbamate (CID 71787067) is methyl N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]carbamate is COC(=O)NCCN1CCC(c2cccs2)CC1.
What is the InChIKey of methyl N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]carbamate?
The InChIKey is DMHCOLRXYXEIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-17-13(16)14-6-9-15-7-4-11(5-8-15)12-3-2-10-18-12/h2-3,10-11H,4-9H2,1H3,(H,14,16).
What are the key properties of methyl N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]carbamate?
methyl N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]carbamate has a molecular weight of 268.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 71787067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).