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

C16H19N5O3 — CID 135105481

IUPACN-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(triazol-2-yl)acetamide
SMILESO=C(Cn1nccn1)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O
InChIInChI=1S/C16H19N5O3/c22-14-10-20(16(24)12-4-2-1-3-5-12)9-6-13(14)19-15(23)11-21-17-7-8-18-21/h1-5,7-8,13-14,22H,6,9-11H2,(H,19,23)/t13-,14-/m1/s1
InChIKeyAKOMFGKYASIARY-ZIAGYGMSSA-N
MW329.36 g/mol
LogP-0.33
Rot. Bonds4

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

N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(triazol-2-yl)acetamide (PubChem CID 135105481) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(triazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(triazol-2-yl)acetamide
PubChem CID135105481
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(triazol-2-yl)acetamide
SMILESO=C(Cn1nccn1)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O
InChIInChI=1S/C16H19N5O3/c22-14-10-20(16(24)12-4-2-1-3-5-12)9-6-13(14)19-15(23)11-21-17-7-8-18-21/h1-5,7-8,13-14,22H,6,9-11H2,(H,19,23)/t13-,14-/m1/s1
InChIKeyAKOMFGKYASIARY-ZIAGYGMSSA-N
XLogP-0.33
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide
CID 135109433
N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(3-chlorophenyl)acetamide
CID 91832335
N-[(3R,4R)-3-hydroxy-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]benzamide
CID 135094429
[3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone
CID 114498596
phenyl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164762
(3,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115871745
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
(4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone
CID 171558301
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 102963573
[(3S,4S)-4-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]-3-hydroxypiperidin-1-yl]-phenylmethanone
CID 164636743
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(triazol-2-yl)acetamide?
The IUPAC name of N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(triazol-2-yl)acetamide (CID 135105481) is N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(triazol-2-yl)acetamide.
What is the SMILES notation for N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(triazol-2-yl)acetamide?
The canonical SMILES for N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(triazol-2-yl)acetamide is O=C(Cn1nccn1)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-(triazol-2-yl)acetamide?
The InChIKey is AKOMFGKYASIARY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H19N5O3/c22-14-10-20(16(24)12-4-2-1-3-5-12)9-6-13(14)19-15(23)11-21-17-7-8-18-21/h1-5,7-8,13-14,22H,6,9-11H2,(H,19,23)/t13-,14-/m1/s1.
What are the key properties of N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(triazol-2-yl)acetamide?
N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(triazol-2-yl)acetamide has a molecular weight of 329.36 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(triazol-2-yl)acetamide is sourced from PubChem (CID 135105481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).