N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]propanamide

C15H24N4O3 — CID 91903409

IUPACN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(c2cnn(CCOC)c(=O)c2)CC1
InChIInChI=1S/C15H24N4O3/c1-3-14(20)17-12-4-6-18(7-5-12)13-10-15(21)19(16-11-13)8-9-22-2/h10-12H,3-9H2,1-2H3,(H,17,20)
InChIKeyCDAUSUATUMLAHK-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.38
Rot. Bonds6

About N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]propanamide

N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]propanamide (PubChem CID 91903409) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]propanamide
PubChem CID91903409
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(c2cnn(CCOC)c(=O)c2)CC1
InChIInChI=1S/C15H24N4O3/c1-3-14(20)17-12-4-6-18(7-5-12)13-10-15(21)19(16-11-13)8-9-22-2/h10-12H,3-9H2,1-2H3,(H,17,20)
InChIKeyCDAUSUATUMLAHK-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-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]propanamide (CID 91903409) is N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]propanamide is CCC(=O)NC1CCN(c2cnn(CCOC)c(=O)c2)CC1.
What is the InChIKey of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]propanamide?
The InChIKey is CDAUSUATUMLAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-3-14(20)17-12-4-6-18(7-5-12)13-10-15(21)19(16-11-13)8-9-22-2/h10-12H,3-9H2,1-2H3,(H,17,20).
What are the key properties of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]propanamide?
N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]propanamide 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-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 91903409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).