N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide

C19H21N3O4 — CID 135109433

IUPACN-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O
InChIInChI=1S/C19H21N3O4/c23-16-12-22(19(26)14-6-2-1-3-7-14)11-9-15(16)20-17(24)13-21-10-5-4-8-18(21)25/h1-8,10,15-16,23H,9,11-13H2,(H,20,24)/t15-,16-/m1/s1
InChIKeyGIRUIAIAJCTQTF-HZPDHXFCSA-N
MW355.39 g/mol
LogP0.24
Rot. Bonds4

About N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide

N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 135109433) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID135109433
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1ccccc1=O)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O
InChIInChI=1S/C19H21N3O4/c23-16-12-22(19(26)14-6-2-1-3-7-14)11-9-15(16)20-17(24)13-21-10-5-4-8-18(21)25/h1-8,10,15-16,23H,9,11-13H2,(H,20,24)/t15-,16-/m1/s1
InChIKeyGIRUIAIAJCTQTF-HZPDHXFCSA-N
XLogP0.24
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide (CID 135109433) is N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide is O=C(Cn1ccccc1=O)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is GIRUIAIAJCTQTF-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-16-12-22(19(26)14-6-2-1-3-7-14)11-9-15(16)20-17(24)13-21-10-5-4-8-18(21)25/h1-8,10,15-16,23H,9,11-13H2,(H,20,24)/t15-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide?
N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 355.39 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 135109433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).