5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one

C17H18N2O4 — CID 90566440

IUPAC5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one
SMILESCc1ccc(OC2CCN(C(=O)c3ccc(=O)oc3)CC2)cn1
InChIInChI=1S/C17H18N2O4/c1-12-2-4-15(10-18-12)23-14-6-8-19(9-7-14)17(21)13-3-5-16(20)22-11-13/h2-5,10-11,14H,6-9H2,1H3
InChIKeyGBHXZQSJGPCJCT-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.03
Rot. Bonds3

About 5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one

5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one (PubChem CID 90566440) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one.

Molecular Properties

Compound Name5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one
PubChem CID90566440
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one
SMILESCc1ccc(OC2CCN(C(=O)c3ccc(=O)oc3)CC2)cn1
InChIInChI=1S/C17H18N2O4/c1-12-2-4-15(10-18-12)23-14-6-8-19(9-7-14)17(21)13-3-5-16(20)22-11-13/h2-5,10-11,14H,6-9H2,1H3
InChIKeyGBHXZQSJGPCJCT-UHFFFAOYSA-N
XLogP2.03
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethylphenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566313
5-(4-pyrazin-2-yloxypiperidine-1-carbonyl)pyran-2-one
CID 90559065
5-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]pyran-2-one
CID 121162543
2,1,3-benzothiadiazol-5-yl-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566474
(5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566406
(2-fluorophenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566330
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566485
[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
CID 90566268
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one
CID 90566283
5-(4-aminopiperidine-1-carbonyl)pyran-2-one
CID 43556219
(2S)-2-amino-3-methyl-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]butan-1-one;dihydrochloride
CID 67529006
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one
CID 90566288

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one?
The IUPAC name of 5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one (CID 90566440) is 5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one.
What is the SMILES notation for 5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one?
The canonical SMILES for 5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one is Cc1ccc(OC2CCN(C(=O)c3ccc(=O)oc3)CC2)cn1.
What is the InChIKey of 5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one?
The InChIKey is GBHXZQSJGPCJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-12-2-4-15(10-18-12)23-14-6-8-19(9-7-14)17(21)13-3-5-16(20)22-11-13/h2-5,10-11,14H,6-9H2,1H3.
What are the key properties of 5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one?
5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one has a molecular weight of 314.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one is sourced from PubChem (CID 90566440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).