5-methoxy-2-(4-methylpiperidine-1-carbonyl)-1H-pyridin-4-one

C13H18N2O3 — CID 125434328

IUPAC5-methoxy-2-(4-methylpiperidine-1-carbonyl)-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(=O)N2CCC(C)CC2)cc1=O
InChIInChI=1S/C13H18N2O3/c1-9-3-5-15(6-4-9)13(17)10-7-11(16)12(18-2)8-14-10/h7-9H,3-6H2,1-2H3,(H,14,16)
InChIKeyYXNZMYXRBMBNPK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.26
Rot. Bonds2

About 5-methoxy-2-(4-methylpiperidine-1-carbonyl)-1H-pyridin-4-one

5-methoxy-2-(4-methylpiperidine-1-carbonyl)-1H-pyridin-4-one (PubChem CID 125434328) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-methoxy-2-(4-methylpiperidine-1-carbonyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name5-methoxy-2-(4-methylpiperidine-1-carbonyl)-1H-pyridin-4-one
PubChem CID125434328
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-methoxy-2-(4-methylpiperidine-1-carbonyl)-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(=O)N2CCC(C)CC2)cc1=O
InChIInChI=1S/C13H18N2O3/c1-9-3-5-15(6-4-9)13(17)10-7-11(16)12(18-2)8-14-10/h7-9H,3-6H2,1-2H3,(H,14,16)
InChIKeyYXNZMYXRBMBNPK-UHFFFAOYSA-N
XLogP1.26
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methylpiperidine-1-carbonyl)-1H-pyridin-4-one?
The IUPAC name of 5-methoxy-2-(4-methylpiperidine-1-carbonyl)-1H-pyridin-4-one (CID 125434328) is 5-methoxy-2-(4-methylpiperidine-1-carbonyl)-1H-pyridin-4-one.
What is the SMILES notation for 5-methoxy-2-(4-methylpiperidine-1-carbonyl)-1H-pyridin-4-one?
The canonical SMILES for 5-methoxy-2-(4-methylpiperidine-1-carbonyl)-1H-pyridin-4-one is COc1c[nH]c(C(=O)N2CCC(C)CC2)cc1=O.
What is the InChIKey of 5-methoxy-2-(4-methylpiperidine-1-carbonyl)-1H-pyridin-4-one?
The InChIKey is YXNZMYXRBMBNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-3-5-15(6-4-9)13(17)10-7-11(16)12(18-2)8-14-10/h7-9H,3-6H2,1-2H3,(H,14,16).
What are the key properties of 5-methoxy-2-(4-methylpiperidine-1-carbonyl)-1H-pyridin-4-one?
5-methoxy-2-(4-methylpiperidine-1-carbonyl)-1H-pyridin-4-one has a molecular weight of 250.30 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methylpiperidine-1-carbonyl)-1H-pyridin-4-one is sourced from PubChem (CID 125434328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).