(2S)-N-(2,4-dimethyl-1-oxothiophen-3-yl)-1-propylpiperidine-2-carboxamide

C15H24N2O2S — CID 141479965

IUPAC(2S)-N-(2,4-dimethyl-1-oxothiophen-3-yl)-1-propylpiperidine-2-carboxamide
SMILESCCCN1CCCC[C@H]1C(=O)NC1=C(C)S(=O)C=C1C
InChIInChI=1S/C15H24N2O2S/c1-4-8-17-9-6-5-7-13(17)15(18)16-14-11(2)10-20(19)12(14)3/h10,13H,4-9H2,1-3H3,(H,16,18)/t13-,20?/m0/s1
InChIKeyUZSCJTOVMOKGPQ-SZQRVLIRSA-N
MW296.44 g/mol
LogP2.26
Rot. Bonds4

About (2S)-N-(2,4-dimethyl-1-oxothiophen-3-yl)-1-propylpiperidine-2-carboxamide

(2S)-N-(2,4-dimethyl-1-oxothiophen-3-yl)-1-propylpiperidine-2-carboxamide (PubChem CID 141479965) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (2S)-N-(2,4-dimethyl-1-oxothiophen-3-yl)-1-propylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dimethyl-1-oxothiophen-3-yl)-1-propylpiperidine-2-carboxamide
PubChem CID141479965
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(2S)-N-(2,4-dimethyl-1-oxothiophen-3-yl)-1-propylpiperidine-2-carboxamide
SMILESCCCN1CCCC[C@H]1C(=O)NC1=C(C)S(=O)C=C1C
InChIInChI=1S/C15H24N2O2S/c1-4-8-17-9-6-5-7-13(17)15(18)16-14-11(2)10-20(19)12(14)3/h10,13H,4-9H2,1-3H3,(H,16,18)/t13-,20?/m0/s1
InChIKeyUZSCJTOVMOKGPQ-SZQRVLIRSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
CID 24892800
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;chloride;hydrate
CID 170923314
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 6918111
N-[2-(difluoromethyl)-4-methylthiophen-3-yl]-1-propylpiperidine-2-carboxamide
CID 174849675
(2S)-N-(2-ethynyl-4-methylthiophen-3-yl)-1-propylpiperidine-2-carboxamide
CID 141479959
(2S)-N-(1-methylimidazol-2-yl)-1-propylpiperidine-2-carboxamide;hydrochloride
CID 141480030
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CID 77242336
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride
CID 154730536
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol
CID 66709536
(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
N-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1-propylpiperidine-2-carboxamide
CID 174852434
1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 142928283

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dimethyl-1-oxothiophen-3-yl)-1-propylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2,4-dimethyl-1-oxothiophen-3-yl)-1-propylpiperidine-2-carboxamide (CID 141479965) is (2S)-N-(2,4-dimethyl-1-oxothiophen-3-yl)-1-propylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,4-dimethyl-1-oxothiophen-3-yl)-1-propylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2,4-dimethyl-1-oxothiophen-3-yl)-1-propylpiperidine-2-carboxamide is CCCN1CCCC[C@H]1C(=O)NC1=C(C)S(=O)C=C1C.
What is the InChIKey of (2S)-N-(2,4-dimethyl-1-oxothiophen-3-yl)-1-propylpiperidine-2-carboxamide?
The InChIKey is UZSCJTOVMOKGPQ-SZQRVLIRSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-8-17-9-6-5-7-13(17)15(18)16-14-11(2)10-20(19)12(14)3/h10,13H,4-9H2,1-3H3,(H,16,18)/t13-,20?/m0/s1.
What are the key properties of (2S)-N-(2,4-dimethyl-1-oxothiophen-3-yl)-1-propylpiperidine-2-carboxamide?
(2S)-N-(2,4-dimethyl-1-oxothiophen-3-yl)-1-propylpiperidine-2-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-dimethyl-1-oxothiophen-3-yl)-1-propylpiperidine-2-carboxamide is sourced from PubChem (CID 141479965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).