5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one

C16H25N3O2 — CID 91843524

IUPAC5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN2CC(N3CCCCC3C)C2)cc1=O
InChIInChI=1S/C16H25N3O2/c1-12-5-3-4-6-19(12)14-10-18(11-14)9-13-7-15(20)16(21-2)8-17-13/h7-8,12,14H,3-6,9-11H2,1-2H3,(H,17,20)
InChIKeyJWENPQXHSDDDPN-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.44
Rot. Bonds4

About 5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one

5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one (PubChem CID 91843524) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one
PubChem CID91843524
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN2CC(N3CCCCC3C)C2)cc1=O
InChIInChI=1S/C16H25N3O2/c1-12-5-3-4-6-19(12)14-10-18(11-14)9-13-7-15(20)16(21-2)8-17-13/h7-8,12,14H,3-6,9-11H2,1-2H3,(H,17,20)
InChIKeyJWENPQXHSDDDPN-UHFFFAOYSA-N
XLogP1.44
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid
CID 70706671
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CID 95552651
2-[[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one
CID 56906119
5-methoxy-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]-1H-pyridin-4-one
CID 56862557
5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 95715011
5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 131934151
5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 124755014
(2S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]azetidin-3-yl]-2-methylpiperidine
CID 95712860
(2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine
CID 95707927
2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine
CID 91833528
5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one
CID 95402328
6-ethoxy-3-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-quinolin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one?
The IUPAC name of 5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one (CID 91843524) is 5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one.
What is the SMILES notation for 5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one?
The canonical SMILES for 5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one is COc1c[nH]c(CN2CC(N3CCCCC3C)C2)cc1=O.
What is the InChIKey of 5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one?
The InChIKey is JWENPQXHSDDDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-5-3-4-6-19(12)14-10-18(11-14)9-13-7-15(20)16(21-2)8-17-13/h7-8,12,14H,3-6,9-11H2,1-2H3,(H,17,20).
What are the key properties of 5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one?
5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one has a molecular weight of 291.39 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one is sourced from PubChem (CID 91843524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).