6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one

C20H23N3O3 — CID 18143303

IUPAC6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)ccc1=O
InChIInChI=1S/C20H23N3O3/c1-2-12-23-18(24)9-8-17(21-23)20(26)22-13-10-16(11-14-22)19(25)15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3
InChIKeyHQTROACSJYTQIG-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.39
Rot. Bonds5

About 6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one

6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one (PubChem CID 18143303) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one
PubChem CID18143303
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)ccc1=O
InChIInChI=1S/C20H23N3O3/c1-2-12-23-18(24)9-8-17(21-23)20(26)22-13-10-16(11-14-22)19(25)15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3
InChIKeyHQTROACSJYTQIG-UHFFFAOYSA-N
XLogP2.39
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33161659
6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one
CID 63106592
1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-3-carboxamide
CID 78784806
6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2-propylpyridazin-3-one
CID 55466009
2-[1-(6-oxo-1-propylpyridazine-3-carbonyl)azetidin-3-yl]acetic acid
CID 64603756
6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide
CID 46464028
6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
CID 55879910
2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one
CID 51327458
[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone
CID 38175380
6-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 51112139
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 38047108
2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one
CID 32530099

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one?
The IUPAC name of 6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one (CID 18143303) is 6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one.
What is the SMILES notation for 6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one?
The canonical SMILES for 6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one is CCCn1nc(C(=O)N2CCC(C(=O)c3ccccc3)CC2)ccc1=O.
What is the InChIKey of 6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one?
The InChIKey is HQTROACSJYTQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-12-23-18(24)9-8-17(21-23)20(26)22-13-10-16(11-14-22)19(25)15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3.
What are the key properties of 6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one?
6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one has a molecular weight of 353.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one is sourced from PubChem (CID 18143303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).