1-(3-cyanophenyl)-N-[(3R)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide

C18H21N5O3S — CID 129399893

IUPAC1-(3-cyanophenyl)-N-[(3R)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
SMILESCCn1nccc1N1CCC[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)C1=O
InChIInChI=1S/C18H21N5O3S/c1-2-23-17(8-9-20-23)22-10-4-7-16(18(22)24)21-27(25,26)13-15-6-3-5-14(11-15)12-19/h3,5-6,8-9,11,16,21H,2,4,7,10,13H2,1H3/t16-/m1/s1
InChIKeyJYKCQXDKSJEYJE-MRXNPFEDSA-N
MW387.47 g/mol
LogP1.39
Rot. Bonds6

About 1-(3-cyanophenyl)-N-[(3R)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide

1-(3-cyanophenyl)-N-[(3R)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide (PubChem CID 129399893) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-[(3R)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-[(3R)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
PubChem CID129399893
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name1-(3-cyanophenyl)-N-[(3R)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
SMILESCCn1nccc1N1CCC[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)C1=O
InChIInChI=1S/C18H21N5O3S/c1-2-23-17(8-9-20-23)22-10-4-7-16(18(22)24)21-27(25,26)13-15-6-3-5-14(11-15)12-19/h3,5-6,8-9,11,16,21H,2,4,7,10,13H2,1H3/t16-/m1/s1
InChIKeyJYKCQXDKSJEYJE-MRXNPFEDSA-N
XLogP1.39
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 129000207
6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
CID 129002559
(3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine
CID 129399889
N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-2-sulfonamide
CID 129327661
4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide
CID 128999336
(2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide
CID 129328061
5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
CID 129399904
1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 128999468
1-(3-cyanophenyl)-N-(2-methylpiperidin-3-yl)methanesulfonamide
CID 114695190
N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 129003523
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-cyanophenyl)methanesulfonamide;hydrochloride
CID 119967873
N-[1-[(3-cyanophenyl)methyl]-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
CID 54070623

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-[(3R)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-[(3R)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide (CID 129399893) is 1-(3-cyanophenyl)-N-[(3R)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-[(3R)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-[(3R)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide is CCn1nccc1N1CCC[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)C1=O.
What is the InChIKey of 1-(3-cyanophenyl)-N-[(3R)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
The InChIKey is JYKCQXDKSJEYJE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-2-23-17(8-9-20-23)22-10-4-7-16(18(22)24)21-27(25,26)13-15-6-3-5-14(11-15)12-19/h3,5-6,8-9,11,16,21H,2,4,7,10,13H2,1H3/t16-/m1/s1.
What are the key properties of 1-(3-cyanophenyl)-N-[(3R)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide?
1-(3-cyanophenyl)-N-[(3R)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide has a molecular weight of 387.47 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-[(3R)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 129399893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).