methyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate

C14H20N2O3S — CID 115286826

IUPACmethyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C(N)c1cccs1
InChIInChI=1S/C14H20N2O3S/c1-19-12(17)9-10-5-2-3-7-16(10)14(18)13(15)11-6-4-8-20-11/h4,6,8,10,13H,2-3,5,7,9,15H2,1H3
InChIKeyPVTLAYSLYHZOAY-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.69
Rot. Bonds4

About methyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate

methyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate (PubChem CID 115286826) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is methyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate
PubChem CID115286826
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Namemethyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C(N)c1cccs1
InChIInChI=1S/C14H20N2O3S/c1-19-12(17)9-10-5-2-3-7-16(10)14(18)13(15)11-6-4-8-20-11/h4,6,8,10,13H,2-3,5,7,9,15H2,1H3
InChIKeyPVTLAYSLYHZOAY-UHFFFAOYSA-N
XLogP1.69
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate (CID 115286826) is methyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)C(N)c1cccs1.
What is the InChIKey of methyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate?
The InChIKey is PVTLAYSLYHZOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-19-12(17)9-10-5-2-3-7-16(10)14(18)13(15)11-6-4-8-20-11/h4,6,8,10,13H,2-3,5,7,9,15H2,1H3.
What are the key properties of methyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate?
methyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate has a molecular weight of 296.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate is sourced from PubChem (CID 115286826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).