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

C15H22N2O2S — CID 95738303

IUPAC(2R,3R)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cccs1
InChIInChI=1S/C15H22N2O2S/c1-10(2)9-16-15(19)11-6-7-13(18)17(3)14(11)12-5-4-8-20-12/h4-5,8,10-11,14H,6-7,9H2,1-3H3,(H,16,19)/t11-,14-/m1/s1
InChIKeyVGJBANPEEOKUSO-BXUZGUMPSA-N
MW294.42 g/mol
LogP2.43
Rot. Bonds4

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

(2R,3R)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide (PubChem CID 95738303) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2R,3R)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
PubChem CID95738303
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(2R,3R)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cccs1
InChIInChI=1S/C15H22N2O2S/c1-10(2)9-16-15(19)11-6-7-13(18)17(3)14(11)12-5-4-8-20-12/h4-5,8,10-11,14H,6-7,9H2,1-3H3,(H,16,19)/t11-,14-/m1/s1
InChIKeyVGJBANPEEOKUSO-BXUZGUMPSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738302
N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 71687695
(2R,3S)-N-cyclopropyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738837
(2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738826
(2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738812
(2S,3S)-1-(3-methylbutyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylic acid
CID 95291481
(5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one
CID 124853509
(2S,3R)-1-methyl-N-[(2-methylphenyl)methyl]-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 97457005
4-[[[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 125151166
(5R,6S)-5-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one
CID 96513209
N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538079
(2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
CID 110087065

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide (CID 95738303) is (2R,3R)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide is CC(C)CNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cccs1.
What is the InChIKey of (2R,3R)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The InChIKey is VGJBANPEEOKUSO-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10(2)9-16-15(19)11-6-7-13(18)17(3)14(11)12-5-4-8-20-12/h4-5,8,10-11,14H,6-7,9H2,1-3H3,(H,16,19)/t11-,14-/m1/s1.
What are the key properties of (2R,3R)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
(2R,3R)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 95738303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).