(4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone

C16H24N4O2 — CID 121118558

IUPAC(4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
SMILESCc1ccc(N2CCCC(C(=O)N3CCC(O)CC3)C2)nn1
InChIInChI=1S/C16H24N4O2/c1-12-4-5-15(18-17-12)20-8-2-3-13(11-20)16(22)19-9-6-14(21)7-10-19/h4-5,13-14,21H,2-3,6-11H2,1H3
InChIKeyKXIYHMJRLIWOLG-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.98
Rot. Bonds2

About (4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone

(4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone (PubChem CID 121118558) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
PubChem CID121118558
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
SMILESCc1ccc(N2CCCC(C(=O)N3CCC(O)CC3)C2)nn1
InChIInChI=1S/C16H24N4O2/c1-12-4-5-15(18-17-12)20-8-2-3-13(11-20)16(22)19-9-6-14(21)7-10-19/h4-5,13-14,21H,2-3,6-11H2,1H3
InChIKeyKXIYHMJRLIWOLG-UHFFFAOYSA-N
XLogP0.98
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 121118396
(4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118392
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118403
ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 121118394
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118547
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 121118686
[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93055749
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 121118531
cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399
[(3R)-1-(6-chloropyridazin-3-yl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 96557217
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118732

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone (CID 121118558) is (4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone is Cc1ccc(N2CCCC(C(=O)N3CCC(O)CC3)C2)nn1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone?
The InChIKey is KXIYHMJRLIWOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-4-5-15(18-17-12)20-8-2-3-13(11-20)16(22)19-9-6-14(21)7-10-19/h4-5,13-14,21H,2-3,6-11H2,1H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone?
(4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 121118558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).