5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one

C16H17N3O4 — CID 121162543

IUPAC5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one
SMILESCc1nccc(OC2CCN(C(=O)c3ccc(=O)oc3)CC2)n1
InChIInChI=1S/C16H17N3O4/c1-11-17-7-4-14(18-11)23-13-5-8-19(9-6-13)16(21)12-2-3-15(20)22-10-12/h2-4,7,10,13H,5-6,8-9H2,1H3
InChIKeyIXSIFNKHIIXMLP-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.42
Rot. Bonds3

About 5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one

5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one (PubChem CID 121162543) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one.

Molecular Properties

Compound Name5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one
PubChem CID121162543
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one
SMILESCc1nccc(OC2CCN(C(=O)c3ccc(=O)oc3)CC2)n1
InChIInChI=1S/C16H17N3O4/c1-11-17-7-4-14(18-11)23-13-5-8-19(9-6-13)16(21)12-2-3-15(20)22-10-12/h2-4,7,10,13H,5-6,8-9H2,1H3
InChIKeyIXSIFNKHIIXMLP-UHFFFAOYSA-N
XLogP1.42
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-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

(4-iodophenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162620
4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzonitrile
CID 121162572
5-(4-pyrazin-2-yloxypiperidine-1-carbonyl)pyran-2-one
CID 90559065
(3-fluoro-4-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162658
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 121162565
(3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162413
(3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162428
5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one
CID 90566440
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 121162695
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone
CID 121162462
1-[4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 121162378
2-methoxy-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162400

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one?
The IUPAC name of 5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one (CID 121162543) is 5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one.
What is the SMILES notation for 5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one?
The canonical SMILES for 5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one is Cc1nccc(OC2CCN(C(=O)c3ccc(=O)oc3)CC2)n1.
What is the InChIKey of 5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one?
The InChIKey is IXSIFNKHIIXMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-11-17-7-4-14(18-11)23-13-5-8-19(9-6-13)16(21)12-2-3-15(20)22-10-12/h2-4,7,10,13H,5-6,8-9H2,1H3.
What are the key properties of 5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one?
5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one has a molecular weight of 315.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one is sourced from PubChem (CID 121162543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).