2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one

C22H23N3O3 — CID 126865130

IUPAC2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
SMILESO=C(c1cc2ccccc2o1)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C22H23N3O3/c26-21-8-7-18(16-5-6-16)23-25(21)14-15-9-11-24(12-10-15)22(27)20-13-17-3-1-2-4-19(17)28-20/h1-4,7-8,13,15-16H,5-6,9-12,14H2
InChIKeyLFNMXCXQMRMYHO-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.42
Rot. Bonds4

About 2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one

2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one (PubChem CID 126865130) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
PubChem CID126865130
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
SMILESO=C(c1cc2ccccc2o1)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C22H23N3O3/c26-21-8-7-18(16-5-6-16)23-25(21)14-15-9-11-24(12-10-15)22(27)20-13-17-3-1-2-4-19(17)28-20/h1-4,7-8,13,15-16H,5-6,9-12,14H2
InChIKeyLFNMXCXQMRMYHO-UHFFFAOYSA-N
XLogP3.42
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one with MolForge

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Related Compounds

6-cyclopropyl-2-[[1-(1H-indole-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865122
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193
2-[[1-(1-benzofuran-2-carbonyl)azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one
CID 126927619
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 62063378
6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865168
6-cyclopropyl-2-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865159
6-cyclopropyl-2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865169
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 71796785
1-benzofuran-2-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263992
(3-aminopyrrolidin-1-yl)-(1-benzofuran-2-yl)methanone;hydrochloride
CID 119482537
1-benzofuran-2-yl-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 49096129

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one?
The IUPAC name of 2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one (CID 126865130) is 2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one?
The canonical SMILES for 2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one is O=C(c1cc2ccccc2o1)N1CCC(Cn2nc(C3CC3)ccc2=O)CC1.
What is the InChIKey of 2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one?
The InChIKey is LFNMXCXQMRMYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-21-8-7-18(16-5-6-16)23-25(21)14-15-9-11-24(12-10-15)22(27)20-13-17-3-1-2-4-19(17)28-20/h1-4,7-8,13,15-16H,5-6,9-12,14H2.
What are the key properties of 2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one?
2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one has a molecular weight of 377.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one is sourced from PubChem (CID 126865130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).