N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]oxane-4-carboxamide

C16H24N4O3 — CID 91924033

IUPACN-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]oxane-4-carboxamide
SMILESCn1ncc(N2CCC(NC(=O)C3CCOCC3)CC2)cc1=O
InChIInChI=1S/C16H24N4O3/c1-19-15(21)10-14(11-17-19)20-6-2-13(3-7-20)18-16(22)12-4-8-23-9-5-12/h10-13H,2-9H2,1H3,(H,18,22)
InChIKeyGJGOTMZGPDNFOB-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.29
Rot. Bonds3

About N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]oxane-4-carboxamide

N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]oxane-4-carboxamide (PubChem CID 91924033) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]oxane-4-carboxamide
PubChem CID91924033
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]oxane-4-carboxamide
SMILESCn1ncc(N2CCC(NC(=O)C3CCOCC3)CC2)cc1=O
InChIInChI=1S/C16H24N4O3/c1-19-15(21)10-14(11-17-19)20-6-2-13(3-7-20)18-16(22)12-4-8-23-9-5-12/h10-13H,2-9H2,1H3,(H,18,22)
InChIKeyGJGOTMZGPDNFOB-UHFFFAOYSA-N
XLogP0.29
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]oxane-4-carboxamide?
The IUPAC name of N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]oxane-4-carboxamide (CID 91924033) is N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]oxane-4-carboxamide?
The canonical SMILES for N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]oxane-4-carboxamide is Cn1ncc(N2CCC(NC(=O)C3CCOCC3)CC2)cc1=O.
What is the InChIKey of N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]oxane-4-carboxamide?
The InChIKey is GJGOTMZGPDNFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-19-15(21)10-14(11-17-19)20-6-2-13(3-7-20)18-16(22)12-4-8-23-9-5-12/h10-13H,2-9H2,1H3,(H,18,22).
What are the key properties of N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]oxane-4-carboxamide?
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]oxane-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]oxane-4-carboxamide is sourced from PubChem (CID 91924033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).