1-methyl-2,6-dipyridin-3-ylpiperidin-4-one

C16H17N3O — CID 67052519

IUPAC1-methyl-2,6-dipyridin-3-ylpiperidin-4-one
SMILESCN1C(c2cccnc2)CC(=O)CC1c1cccnc1
InChIInChI=1S/C16H17N3O/c1-19-15(12-4-2-6-17-10-12)8-14(20)9-16(19)13-5-3-7-18-11-13/h2-7,10-11,15-16H,8-9H2,1H3
InChIKeyDEXWQWXZBGXEIF-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.55
Rot. Bonds2

About 1-methyl-2,6-dipyridin-3-ylpiperidin-4-one

1-methyl-2,6-dipyridin-3-ylpiperidin-4-one (PubChem CID 67052519) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-methyl-2,6-dipyridin-3-ylpiperidin-4-one.

Molecular Properties

Compound Name1-methyl-2,6-dipyridin-3-ylpiperidin-4-one
PubChem CID67052519
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-methyl-2,6-dipyridin-3-ylpiperidin-4-one
SMILESCN1C(c2cccnc2)CC(=O)CC1c1cccnc1
InChIInChI=1S/C16H17N3O/c1-19-15(12-4-2-6-17-10-12)8-14(20)9-16(19)13-5-3-7-18-11-13/h2-7,10-11,15-16H,8-9H2,1H3
InChIKeyDEXWQWXZBGXEIF-UHFFFAOYSA-N
XLogP2.55
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 159245541
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3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
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CID 157051312
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
N,N-dimethylmethanamine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174560807
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
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CID 175000566

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,6-dipyridin-3-ylpiperidin-4-one?
The IUPAC name of 1-methyl-2,6-dipyridin-3-ylpiperidin-4-one (CID 67052519) is 1-methyl-2,6-dipyridin-3-ylpiperidin-4-one.
What is the SMILES notation for 1-methyl-2,6-dipyridin-3-ylpiperidin-4-one?
The canonical SMILES for 1-methyl-2,6-dipyridin-3-ylpiperidin-4-one is CN1C(c2cccnc2)CC(=O)CC1c1cccnc1.
What is the InChIKey of 1-methyl-2,6-dipyridin-3-ylpiperidin-4-one?
The InChIKey is DEXWQWXZBGXEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19-15(12-4-2-6-17-10-12)8-14(20)9-16(19)13-5-3-7-18-11-13/h2-7,10-11,15-16H,8-9H2,1H3.
What are the key properties of 1-methyl-2,6-dipyridin-3-ylpiperidin-4-one?
1-methyl-2,6-dipyridin-3-ylpiperidin-4-one has a molecular weight of 267.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,6-dipyridin-3-ylpiperidin-4-one is sourced from PubChem (CID 67052519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).