(2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide

C15H22N2O2S — CID 95738826

IUPAC(2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cccs1
InChIInChI=1S/C15H22N2O2S/c1-4-17(5-2)15(19)11-8-9-13(18)16(3)14(11)12-7-6-10-20-12/h6-7,10-11,14H,4-5,8-9H2,1-3H3/t11-,14+/m1/s1
InChIKeyGMMAGYQPSLLZLJ-RISCZKNCSA-N
MW294.42 g/mol
LogP2.53
Rot. Bonds4

About (2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide

(2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide (PubChem CID 95738826) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
PubChem CID95738826
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cccs1
InChIInChI=1S/C15H22N2O2S/c1-4-17(5-2)15(19)11-8-9-13(18)16(3)14(11)12-7-6-10-20-12/h6-7,10-11,14H,4-5,8-9H2,1-3H3/t11-,14+/m1/s1
InChIKeyGMMAGYQPSLLZLJ-RISCZKNCSA-N
XLogP2.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The IUPAC name of (2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide (CID 95738826) is (2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide is CCN(CC)C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cccs1.
What is the InChIKey of (2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The InChIKey is GMMAGYQPSLLZLJ-RISCZKNCSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-4-17(5-2)15(19)11-8-9-13(18)16(3)14(11)12-7-6-10-20-12/h6-7,10-11,14H,4-5,8-9H2,1-3H3/t11-,14+/m1/s1.
What are the key properties of (2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
(2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 95738826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).