2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one

C20H25N3O3 — CID 51327458

IUPAC2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCC(c3ccc(O)cc3)CC2)ccc1=O
InChIInChI=1S/C20H25N3O3/c1-2-3-12-23-19(25)9-8-18(21-23)20(26)22-13-10-16(11-14-22)15-4-6-17(24)7-5-15/h4-9,16,24H,2-3,10-14H2,1H3
InChIKeyGCTYBGACGSSIHX-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.77
Rot. Bonds5

About 2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one

2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one (PubChem CID 51327458) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one
PubChem CID51327458
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCC(c3ccc(O)cc3)CC2)ccc1=O
InChIInChI=1S/C20H25N3O3/c1-2-3-12-23-19(25)9-8-18(21-23)20(26)22-13-10-16(11-14-22)15-4-6-17(24)7-5-15/h4-9,16,24H,2-3,10-14H2,1H3
InChIKeyGCTYBGACGSSIHX-UHFFFAOYSA-N
XLogP2.77
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 51327441
2-butyl-6-[4-(furan-3-carbonyl)piperazine-1-carbonyl]pyridazin-3-one
CID 32530099
2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one
CID 71852925
2-[1-(1-butyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]acetic acid
CID 64604161
2-butyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one
CID 42161962
6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one
CID 63106592
2-butyl-6-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 79030504
6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one
CID 18143303
4-(1-butylpiperidin-4-yl)phenol
CID 10663044
2-butyl-6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one
CID 55360861
1-nonyl-6-oxopyridazine-3-carboxylic acid
CID 114695797
2-butyl-6-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]pyridazin-3-one
CID 55556880

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one (CID 51327458) is 2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one is CCCCn1nc(C(=O)N2CCC(c3ccc(O)cc3)CC2)ccc1=O.
What is the InChIKey of 2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one?
The InChIKey is GCTYBGACGSSIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-2-3-12-23-19(25)9-8-18(21-23)20(26)22-13-10-16(11-14-22)15-4-6-17(24)7-5-15/h4-9,16,24H,2-3,10-14H2,1H3.
What are the key properties of 2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one?
2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one has a molecular weight of 355.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 51327458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).