6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C18H21N3O2 — CID 125025852

IUPAC6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCC[C@H](Cc3cccnc3)C2)c(=O)[nH]1
InChIInChI=1S/C18H21N3O2/c1-13-6-7-16(17(22)20-13)18(23)21-9-3-5-15(12-21)10-14-4-2-8-19-11-14/h2,4,6-8,11,15H,3,5,9-10,12H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyZPMDTNOJYKRGQM-OAHLLOKOSA-N
MW311.38 g/mol
LogP2.17
Rot. Bonds3

About 6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 125025852) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID125025852
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCC[C@H](Cc3cccnc3)C2)c(=O)[nH]1
InChIInChI=1S/C18H21N3O2/c1-13-6-7-16(17(22)20-13)18(23)21-9-3-5-15(12-21)10-14-4-2-8-19-11-14/h2,4,6-8,11,15H,3,5,9-10,12H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyZPMDTNOJYKRGQM-OAHLLOKOSA-N
XLogP2.17
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 124960914
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
(2-ethoxy-3-pyridinyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 127246482
3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride
CID 119381683
2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
(4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 124950556
1,3-oxazol-5-yl-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 95846143
(3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 50979872
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125000817
(2-cyclopropylpyrimidin-5-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110103373
(5-propyl-1,2-oxazol-3-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 124986927
3-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 103816592

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 125025852) is 6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCC[C@H](Cc3cccnc3)C2)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is ZPMDTNOJYKRGQM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-6-7-16(17(22)20-13)18(23)21-9-3-5-15(12-21)10-14-4-2-8-19-11-14/h2,4,6-8,11,15H,3,5,9-10,12H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of 6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 311.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 125025852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).