2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxo-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide

C20H24N4O2S — CID 7673311

IUPAC2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxo-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)C1
InChIInChI=1S/C20H24N4O2S/c1-13-8-14(2)10-23(9-13)20(26)19(25)21-18-16-11-27-12-17(16)22-24(18)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,21,25)/t13-,14+
InChIKeyFKYLERHQEVSRTQ-OKILXGFUSA-N
MW384.51 g/mol
LogP3.06
Rot. Bonds2

About 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxo-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide

2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxo-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (PubChem CID 7673311) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxo-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxo-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
PubChem CID7673311
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxo-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)C1
InChIInChI=1S/C20H24N4O2S/c1-13-8-14(2)10-23(9-13)20(26)19(25)21-18-16-11-27-12-17(16)22-24(18)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,21,25)/t13-,14+
InChIKeyFKYLERHQEVSRTQ-OKILXGFUSA-N
XLogP3.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(2R)-butan-2-yl]-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide
CID 7423844
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 7424034
2-(azepan-1-yl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-oxoacetamide
CID 7424033
N-[(2S)-2-hydroxypropyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide
CID 7673285
N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclobutanecarboxamide
CID 121030371
2-chloro-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 5114556
N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-2-oxoacetamide
CID 7685350
N'-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]oxamide
CID 7685135
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 121030365
N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 7685439
2-(4-nitrophenyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 7484062
2,3-dimethoxy-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
CID 3326950

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxo-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The IUPAC name of 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxo-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide (CID 7673311) is 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxo-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxo-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxo-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is C[C@@H]1C[C@H](C)CN(C(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)C1.
What is the InChIKey of 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxo-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
The InChIKey is FKYLERHQEVSRTQ-OKILXGFUSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-13-8-14(2)10-23(9-13)20(26)19(25)21-18-16-11-27-12-17(16)22-24(18)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,21,25)/t13-,14+.
What are the key properties of 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxo-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide?
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxo-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide has a molecular weight of 384.51 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxo-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 7673311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).