N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide

C16H20N4O2S — CID 129488046

IUPACN-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide
SMILESCCn1nccc1N1CCC[C@H](NC(=O)c2ccsc2C)C1=O
InChIInChI=1S/C16H20N4O2S/c1-3-20-14(6-8-17-20)19-9-4-5-13(16(19)22)18-15(21)12-7-10-23-11(12)2/h6-8,10,13H,3-5,9H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyOJOKLTQZZZEZCU-ZDUSSCGKSA-N
MW332.43 g/mol
LogP2.20
Rot. Bonds4

About N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide

N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide (PubChem CID 129488046) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide
PubChem CID129488046
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide
SMILESCCn1nccc1N1CCC[C@H](NC(=O)c2ccsc2C)C1=O
InChIInChI=1S/C16H20N4O2S/c1-3-20-14(6-8-17-20)19-9-4-5-13(16(19)22)18-15(21)12-7-10-23-11(12)2/h6-8,10,13H,3-5,9H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyOJOKLTQZZZEZCU-ZDUSSCGKSA-N
XLogP2.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine
CID 129399889
4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide
CID 128999336
N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-2-sulfonamide
CID 129327661
(3S)-1-(2-ethylpyrazol-3-yl)-3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]piperidin-2-one
CID 100653585
5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
CID 129399904
N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 129399900
(2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide
CID 129328061
2-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)thiophene-3-carboxamide
CID 128562638
1-(3-cyanophenyl)-N-[(3R)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 129399893
6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
CID 129002559
methyl 2-[(3S)-3-[(2-methylfuran-3-carbonyl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate
CID 124883948
1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122011576

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide?
The IUPAC name of N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide (CID 129488046) is N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide is CCn1nccc1N1CCC[C@H](NC(=O)c2ccsc2C)C1=O.
What is the InChIKey of N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide?
The InChIKey is OJOKLTQZZZEZCU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-3-20-14(6-8-17-20)19-9-4-5-13(16(19)22)18-15(21)12-7-10-23-11(12)2/h6-8,10,13H,3-5,9H2,1-2H3,(H,18,21)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide?
N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide is sourced from PubChem (CID 129488046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).