1-(4-methyl-3-pyridinyl)piperidin-4-one

C11H14N2O — CID 63327430

IUPAC1-(4-methyl-3-pyridinyl)piperidin-4-one
SMILESCc1ccncc1N1CCC(=O)CC1
InChIInChI=1S/C11H14N2O/c1-9-2-5-12-8-11(9)13-6-3-10(14)4-7-13/h2,5,8H,3-4,6-7H2,1H3
InChIKeyPVBSSWMOUOBJTA-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.56
Rot. Bonds1

About 1-(4-methyl-3-pyridinyl)piperidin-4-one

1-(4-methyl-3-pyridinyl)piperidin-4-one (PubChem CID 63327430) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(4-methyl-3-pyridinyl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-methyl-3-pyridinyl)piperidin-4-one
PubChem CID63327430
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(4-methyl-3-pyridinyl)piperidin-4-one
SMILESCc1ccncc1N1CCC(=O)CC1
InChIInChI=1S/C11H14N2O/c1-9-2-5-12-8-11(9)13-6-3-10(14)4-7-13/h2,5,8H,3-4,6-7H2,1H3
InChIKeyPVBSSWMOUOBJTA-UHFFFAOYSA-N
XLogP1.56
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyridinyl)piperidin-4-one?
The IUPAC name of 1-(4-methyl-3-pyridinyl)piperidin-4-one (CID 63327430) is 1-(4-methyl-3-pyridinyl)piperidin-4-one.
What is the SMILES notation for 1-(4-methyl-3-pyridinyl)piperidin-4-one?
The canonical SMILES for 1-(4-methyl-3-pyridinyl)piperidin-4-one is Cc1ccncc1N1CCC(=O)CC1.
What is the InChIKey of 1-(4-methyl-3-pyridinyl)piperidin-4-one?
The InChIKey is PVBSSWMOUOBJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9-2-5-12-8-11(9)13-6-3-10(14)4-7-13/h2,5,8H,3-4,6-7H2,1H3.
What are the key properties of 1-(4-methyl-3-pyridinyl)piperidin-4-one?
1-(4-methyl-3-pyridinyl)piperidin-4-one has a molecular weight of 190.25 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyridinyl)piperidin-4-one is sourced from PubChem (CID 63327430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).