[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone

C24H26N6O3 — CID 30365181

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CCN(c3ccc(-c4cccnc4)nn3)CC2)CC1
InChIInChI=1S/C24H26N6O3/c31-23(29-12-14-30(15-13-29)24(32)21-4-2-16-33-21)18-7-10-28(11-8-18)22-6-5-20(26-27-22)19-3-1-9-25-17-19/h1-6,9,16-18H,7-8,10-15H2
InChIKeyXOXYGKJJGXWPRM-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.33
Rot. Bonds4

About [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone (PubChem CID 30365181) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone
PubChem CID30365181
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CCN(c3ccc(-c4cccnc4)nn3)CC2)CC1
InChIInChI=1S/C24H26N6O3/c31-23(29-12-14-30(15-13-29)24(32)21-4-2-16-33-21)18-7-10-28(11-8-18)22-6-5-20(26-27-22)19-3-1-9-25-17-19/h1-6,9,16-18H,7-8,10-15H2
InChIKeyXOXYGKJJGXWPRM-UHFFFAOYSA-N
XLogP2.33
TPSA95.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

[4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30365263
[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 30364279
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 40804993
(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866604
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
N-propan-2-yl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365272
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 121070612
1-(6-phenylpyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30866618
[(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 92746923
1-(furan-2-carbonyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17481227

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone (CID 30365181) is [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3ccc(-c4cccnc4)nn3)CC2)CC1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone?
The InChIKey is XOXYGKJJGXWPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c31-23(29-12-14-30(15-13-29)24(32)21-4-2-16-33-21)18-7-10-28(11-8-18)22-6-5-20(26-27-22)19-3-1-9-25-17-19/h1-6,9,16-18H,7-8,10-15H2.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone has a molecular weight of 446.51 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 30365181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).