N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methoxypropanamide

C15H24N4O3 — CID 91924054

IUPACN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methoxypropanamide
SMILESCCn1ncc(N2CCC(NC(=O)CCOC)CC2)cc1=O
InChIInChI=1S/C15H24N4O3/c1-3-19-15(21)10-13(11-16-19)18-7-4-12(5-8-18)17-14(20)6-9-22-2/h10-12H,3-9H2,1-2H3,(H,17,20)
InChIKeyCCQQWFDLFAJQRR-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.38
Rot. Bonds6

About N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methoxypropanamide

N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methoxypropanamide (PubChem CID 91924054) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methoxypropanamide
PubChem CID91924054
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methoxypropanamide
SMILESCCn1ncc(N2CCC(NC(=O)CCOC)CC2)cc1=O
InChIInChI=1S/C15H24N4O3/c1-3-19-15(21)10-13(11-16-19)18-7-4-12(5-8-18)17-14(20)6-9-22-2/h10-12H,3-9H2,1-2H3,(H,17,20)
InChIKeyCCQQWFDLFAJQRR-UHFFFAOYSA-N
XLogP0.38
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methoxypropanamide?
The IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methoxypropanamide (CID 91924054) is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methoxypropanamide?
The canonical SMILES for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methoxypropanamide is CCn1ncc(N2CCC(NC(=O)CCOC)CC2)cc1=O.
What is the InChIKey of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methoxypropanamide?
The InChIKey is CCQQWFDLFAJQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-3-19-15(21)10-13(11-16-19)18-7-4-12(5-8-18)17-14(20)6-9-22-2/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]-3-methoxypropanamide?
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methoxypropanamide has a molecular weight of 308.38 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-methoxypropanamide is sourced from PubChem (CID 91924054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).