methyl 4-[[(2-thiophen-3-ylacetyl)amino]methyl]piperidine-1-carboxylate

C14H20N2O3S — CID 71806803

IUPACmethyl 4-[[(2-thiophen-3-ylacetyl)amino]methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CNC(=O)Cc2ccsc2)CC1
InChIInChI=1S/C14H20N2O3S/c1-19-14(18)16-5-2-11(3-6-16)9-15-13(17)8-12-4-7-20-10-12/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,15,17)
InChIKeyRVDZXDNLMNJYPJ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.89
Rot. Bonds4

About methyl 4-[[(2-thiophen-3-ylacetyl)amino]methyl]piperidine-1-carboxylate

methyl 4-[[(2-thiophen-3-ylacetyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 71806803) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is methyl 4-[[(2-thiophen-3-ylacetyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(2-thiophen-3-ylacetyl)amino]methyl]piperidine-1-carboxylate
PubChem CID71806803
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Namemethyl 4-[[(2-thiophen-3-ylacetyl)amino]methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CNC(=O)Cc2ccsc2)CC1
InChIInChI=1S/C14H20N2O3S/c1-19-14(18)16-5-2-11(3-6-16)9-15-13(17)8-12-4-7-20-10-12/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,15,17)
InChIKeyRVDZXDNLMNJYPJ-UHFFFAOYSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2-thiophen-3-ylacetyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[(2-thiophen-3-ylacetyl)amino]methyl]piperidine-1-carboxylate (CID 71806803) is methyl 4-[[(2-thiophen-3-ylacetyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[(2-thiophen-3-ylacetyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[(2-thiophen-3-ylacetyl)amino]methyl]piperidine-1-carboxylate is COC(=O)N1CCC(CNC(=O)Cc2ccsc2)CC1.
What is the InChIKey of methyl 4-[[(2-thiophen-3-ylacetyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is RVDZXDNLMNJYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-19-14(18)16-5-2-11(3-6-16)9-15-13(17)8-12-4-7-20-10-12/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H,15,17).
What are the key properties of methyl 4-[[(2-thiophen-3-ylacetyl)amino]methyl]piperidine-1-carboxylate?
methyl 4-[[(2-thiophen-3-ylacetyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2-thiophen-3-ylacetyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 71806803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).