6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one

C16H18N4O5 — CID 122261521

IUPAC6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCOc1nccc(OC2CCCN(C(=O)c3cc(O)[nH]c(=O)c3)C2)n1
InChIInChI=1S/C16H18N4O5/c1-24-16-17-5-4-14(19-16)25-11-3-2-6-20(9-11)15(23)10-7-12(21)18-13(22)8-10/h4-5,7-8,11H,2-3,6,9H2,1H3,(H2,18,21,22)
InChIKeyVNFABXROAVDPPR-UHFFFAOYSA-N
MW346.34 g/mol
LogP0.56
Rot. Bonds4

About 6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one

6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 122261521) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is 6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID122261521
Molecular FormulaC16H18N4O5
Molecular Weight346.34 g/mol
Exact Mass346.13
IUPAC Name6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCOc1nccc(OC2CCCN(C(=O)c3cc(O)[nH]c(=O)c3)C2)n1
InChIInChI=1S/C16H18N4O5/c1-24-16-17-5-4-14(19-16)25-11-3-2-6-20(9-11)15(23)10-7-12(21)18-13(22)8-10/h4-5,7-8,11H,2-3,6,9H2,1H3,(H2,18,21,22)
InChIKeyVNFABXROAVDPPR-UHFFFAOYSA-N
XLogP0.56
TPSA117.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

(3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261258
3H-benzimidazol-5-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261199
(4-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261283
(4-ethoxyphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261264
(3-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261282
[4-(dimethylamino)phenyl]-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261412
(2,4-difluorophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261376
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 122261504
N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261562
2-chloro-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 122261251

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one (CID 122261521) is 6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one is COc1nccc(OC2CCCN(C(=O)c3cc(O)[nH]c(=O)c3)C2)n1.
What is the InChIKey of 6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is VNFABXROAVDPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5/c1-24-16-17-5-4-14(19-16)25-11-3-2-6-20(9-11)15(23)10-7-12(21)18-13(22)8-10/h4-5,7-8,11H,2-3,6,9H2,1H3,(H2,18,21,22).
What are the key properties of 6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one?
6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 346.34 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 122261521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).