N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide

C15H24N4O2 — CID 91924062

IUPACN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(c2cnn(CC)c(=O)c2)CC1
InChIInChI=1S/C15H24N4O2/c1-3-5-14(20)17-12-6-8-18(9-7-12)13-10-15(21)19(4-2)16-11-13/h10-12H,3-9H2,1-2H3,(H,17,20)
InChIKeyQGWGBKRIKPUSCT-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.15
Rot. Bonds5

About N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide

N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide (PubChem CID 91924062) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
PubChem CID91924062
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(c2cnn(CC)c(=O)c2)CC1
InChIInChI=1S/C15H24N4O2/c1-3-5-14(20)17-12-6-8-18(9-7-12)13-10-15(21)19(4-2)16-11-13/h10-12H,3-9H2,1-2H3,(H,17,20)
InChIKeyQGWGBKRIKPUSCT-UHFFFAOYSA-N
XLogP1.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
The IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide (CID 91924062) is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide.
What is the SMILES notation for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
The canonical SMILES for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide is CCCC(=O)NC1CCN(c2cnn(CC)c(=O)c2)CC1.
What is the InChIKey of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
The InChIKey is QGWGBKRIKPUSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-5-14(20)17-12-6-8-18(9-7-12)13-10-15(21)19(4-2)16-11-13/h10-12H,3-9H2,1-2H3,(H,17,20).
What are the key properties of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide has a molecular weight of 292.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide is sourced from PubChem (CID 91924062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).