6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one

C16H16N6O2 — CID 124963530

IUPAC6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C16H16N6O2/c23-15(10-3-4-13-14(8-10)20-21-19-13)22-7-1-2-11(9-22)12-5-6-17-16(24)18-12/h3-6,8,11H,1-2,7,9H2,(H,17,18,24)(H,19,20,21)/t11-/m1/s1
InChIKeyHQXTUGCVKNGWDF-LLVKDONJSA-N
MW324.34 g/mol
LogP1.06
Rot. Bonds2

About 6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one

6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one (PubChem CID 124963530) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
PubChem CID124963530
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C16H16N6O2/c23-15(10-3-4-13-14(8-10)20-21-19-13)22-7-1-2-11(9-22)12-5-6-17-16(24)18-12/h3-6,8,11H,1-2,7,9H2,(H,17,18,24)(H,19,20,21)/t11-/m1/s1
InChIKeyHQXTUGCVKNGWDF-LLVKDONJSA-N
XLogP1.06
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3R)-1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124996465
2H-benzotriazol-5-yl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110115037
6-[1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115079
6-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124942458
2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110102495
2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125001721
6-[(3R)-1-(1-ethylpyrazole-4-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125007295
4-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136861424
6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125019436
6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115172
6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125005483
2H-benzotriazol-5-yl-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124942665

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one (CID 124963530) is 6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one is O=C(c1ccc2n[nH]nc2c1)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1.
What is the InChIKey of 6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The InChIKey is HQXTUGCVKNGWDF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16N6O2/c23-15(10-3-4-13-14(8-10)20-21-19-13)22-7-1-2-11(9-22)12-5-6-17-16(24)18-12/h3-6,8,11H,1-2,7,9H2,(H,17,18,24)(H,19,20,21)/t11-/m1/s1.
What are the key properties of 6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one has a molecular weight of 324.34 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 124963530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).