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

C15H22N2O3 — CID 82064546

IUPAC2-methyl-3-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C15H22N2O3/c1-11-4-8-17(9-5-11)14(19)6-10-20-15-12(2)16-7-3-13(15)18/h3,7,11H,4-6,8-10H2,1-2H3,(H,16,18)
InChIKeySAAJTKRVNRLJRZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.71
Rot. Bonds4

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

2-methyl-3-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one (PubChem CID 82064546) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methyl-3-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one
PubChem CID82064546
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methyl-3-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C15H22N2O3/c1-11-4-8-17(9-5-11)14(19)6-10-20-15-12(2)16-7-3-13(15)18/h3,7,11H,4-6,8-10H2,1-2H3,(H,16,18)
InChIKeySAAJTKRVNRLJRZ-UHFFFAOYSA-N
XLogP1.71
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one?
The IUPAC name of 2-methyl-3-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one (CID 82064546) is 2-methyl-3-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-3-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1OCCC(=O)N1CCC(C)CC1.
What is the InChIKey of 2-methyl-3-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one?
The InChIKey is SAAJTKRVNRLJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-4-8-17(9-5-11)14(19)6-10-20-15-12(2)16-7-3-13(15)18/h3,7,11H,4-6,8-10H2,1-2H3,(H,16,18).
What are the key properties of 2-methyl-3-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one?
2-methyl-3-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one has a molecular weight of 278.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(4-methylpiperidin-1-yl)-3-oxopropoxy]-1H-pyridin-4-one is sourced from PubChem (CID 82064546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).