N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide

C15H24N4O2 — CID 110876550

IUPACN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide
SMILESCCn1ncc(N2CCC(NC(=O)C(C)C)CC2)cc1=O
InChIInChI=1S/C15H24N4O2/c1-4-19-14(20)9-13(10-16-19)18-7-5-12(6-8-18)17-15(21)11(2)3/h9-12H,4-8H2,1-3H3,(H,17,21)
InChIKeySPFMYESPJLHEGH-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.00
Rot. Bonds4

About N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide

N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide (PubChem CID 110876550) 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]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide
PubChem CID110876550
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide
SMILESCCn1ncc(N2CCC(NC(=O)C(C)C)CC2)cc1=O
InChIInChI=1S/C15H24N4O2/c1-4-19-14(20)9-13(10-16-19)18-7-5-12(6-8-18)17-15(21)11(2)3/h9-12H,4-8H2,1-3H3,(H,17,21)
InChIKeySPFMYESPJLHEGH-UHFFFAOYSA-N
XLogP1.00
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.00
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]-2-methylpropanamide?
The IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide (CID 110876550) is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide is CCn1ncc(N2CCC(NC(=O)C(C)C)CC2)cc1=O.
What is the InChIKey of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide?
The InChIKey is SPFMYESPJLHEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-19-14(20)9-13(10-16-19)18-7-5-12(6-8-18)17-15(21)11(2)3/h9-12H,4-8H2,1-3H3,(H,17,21).
What are the key properties of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide?
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-methylpropanamide has a molecular weight of 292.38 g/mol, XLogP of 1.00, 4 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]-2-methylpropanamide is sourced from PubChem (CID 110876550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).