5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one

C14H21N3O4 — CID 82016344

IUPAC5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCC(OCCO)CC2)c1C
InChIInChI=1S/C14H21N3O4/c1-9-10(2)15-16-13(19)12(9)14(20)17-5-3-11(4-6-17)21-8-7-18/h11,18H,3-8H2,1-2H3,(H,16,19)
InChIKeyOGSLRGVEXLITFA-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.00
Rot. Bonds4

About 5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one

5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one (PubChem CID 82016344) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
PubChem CID82016344
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCC(OCCO)CC2)c1C
InChIInChI=1S/C14H21N3O4/c1-9-10(2)15-16-13(19)12(9)14(20)17-5-3-11(4-6-17)21-8-7-18/h11,18H,3-8H2,1-2H3,(H,16,19)
InChIKeyOGSLRGVEXLITFA-UHFFFAOYSA-N
XLogP0.00
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
The IUPAC name of 5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one (CID 82016344) is 5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
The canonical SMILES for 5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one is Cc1n[nH]c(=O)c(C(=O)N2CCC(OCCO)CC2)c1C.
What is the InChIKey of 5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
The InChIKey is OGSLRGVEXLITFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9-10(2)15-16-13(19)12(9)14(20)17-5-3-11(4-6-17)21-8-7-18/h11,18H,3-8H2,1-2H3,(H,16,19).
What are the key properties of 5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one has a molecular weight of 295.34 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one is sourced from PubChem (CID 82016344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).