6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one

C15H23N3O3 — CID 62358123

IUPAC6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCCC(CCO)C2)ccc1=O
InChIInChI=1S/C15H23N3O3/c1-2-8-18-14(20)6-5-13(16-18)15(21)17-9-3-4-12(11-17)7-10-19/h5-6,12,19H,2-4,7-11H2,1H3
InChIKeyQIVHXSICMXLPPF-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.89
Rot. Bonds5

About 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one

6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one (PubChem CID 62358123) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
PubChem CID62358123
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCCC(CCO)C2)ccc1=O
InChIInChI=1S/C15H23N3O3/c1-2-8-18-14(20)6-5-13(16-18)15(21)17-9-3-4-12(11-17)7-10-19/h5-6,12,19H,2-4,7-11H2,1H3
InChIKeyQIVHXSICMXLPPF-UHFFFAOYSA-N
XLogP0.89
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one?
The IUPAC name of 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one (CID 62358123) is 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one.
What is the SMILES notation for 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one?
The canonical SMILES for 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one is CCCn1nc(C(=O)N2CCCC(CCO)C2)ccc1=O.
What is the InChIKey of 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one?
The InChIKey is QIVHXSICMXLPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-8-18-14(20)6-5-13(16-18)15(21)17-9-3-4-12(11-17)7-10-19/h5-6,12,19H,2-4,7-11H2,1H3.
What are the key properties of 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one?
6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one has a molecular weight of 293.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-2-propylpyridazin-3-one is sourced from PubChem (CID 62358123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).