4-methyl-3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one

C12H18N2O — CID 118303287

IUPAC4-methyl-3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1C1CCN(C)CC1
InChIInChI=1S/C12H18N2O/c1-9-3-6-13-12(15)11(9)10-4-7-14(2)8-5-10/h3,6,10H,4-5,7-8H2,1-2H3,(H,13,15)
InChIKeyRFAZDSOLQOXNHA-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.49
Rot. Bonds1

About 4-methyl-3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one

4-methyl-3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one (PubChem CID 118303287) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-methyl-3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-methyl-3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one
PubChem CID118303287
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-methyl-3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one
SMILESCc1cc[nH]c(=O)c1C1CCN(C)CC1
InChIInChI=1S/C12H18N2O/c1-9-3-6-13-12(15)11(9)10-4-7-14(2)8-5-10/h3,6,10H,4-5,7-8H2,1-2H3,(H,13,15)
InChIKeyRFAZDSOLQOXNHA-UHFFFAOYSA-N
XLogP1.49
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one?
The IUPAC name of 4-methyl-3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one (CID 118303287) is 4-methyl-3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-methyl-3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-methyl-3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one is Cc1cc[nH]c(=O)c1C1CCN(C)CC1.
What is the InChIKey of 4-methyl-3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one?
The InChIKey is RFAZDSOLQOXNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-3-6-13-12(15)11(9)10-4-7-14(2)8-5-10/h3,6,10H,4-5,7-8H2,1-2H3,(H,13,15).
What are the key properties of 4-methyl-3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one?
4-methyl-3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1-methylpiperidin-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 118303287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).