(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C22H21FN4O2 — CID 99816438

IUPAC(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(Nc1ccc(-n2cccn2)c(F)c1)[C@@H](c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C22H21FN4O2/c23-18-15-17(10-11-19(18)27-14-6-12-24-27)25-22(29)21(16-7-2-1-3-8-16)26-13-5-4-9-20(26)28/h1-3,6-8,10-12,14-15,21H,4-5,9,13H2,(H,25,29)/t21-/m1/s1
InChIKeyUZERNBACTDORDC-OAQYLSRUSA-N
MW392.43 g/mol
LogP3.70
Rot. Bonds5

About (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 99816438) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID99816438
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(Nc1ccc(-n2cccn2)c(F)c1)[C@@H](c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C22H21FN4O2/c23-18-15-17(10-11-19(18)27-14-6-12-24-27)25-22(29)21(16-7-2-1-3-8-16)26-13-5-4-9-20(26)28/h1-3,6-8,10-12,14-15,21H,4-5,9,13H2,(H,25,29)/t21-/m1/s1
InChIKeyUZERNBACTDORDC-OAQYLSRUSA-N
XLogP3.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513321
3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid
CID 119219540
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515457
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 56513814
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 56515108
(2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 96514873
N-[4-[(3-fluorophenyl)sulfamoyl]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56514636
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 56515984
N-(3-cyclopentyloxyphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515228
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 56577093
N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56516841
(2S)-N-imidazo[1,2-a]pyridin-5-yl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 124887769

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 99816438) is (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is O=C(Nc1ccc(-n2cccn2)c(F)c1)[C@@H](c1ccccc1)N1CCCCC1=O.
What is the InChIKey of (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is UZERNBACTDORDC-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-18-15-17(10-11-19(18)27-14-6-12-24-27)25-22(29)21(16-7-2-1-3-8-16)26-13-5-4-9-20(26)28/h1-3,6-8,10-12,14-15,21H,4-5,9,13H2,(H,25,29)/t21-/m1/s1.
What are the key properties of (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 392.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 99816438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).