5-[2-[2-[(1-acetylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one

C18H29N5O3 — CID 70787066

IUPAC5-[2-[2-[(1-acetylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one
SMILESCC(=O)N1CCC(NCCC2CN(c3cnn(C)c(=O)c3)CCO2)CC1
InChIInChI=1S/C18H29N5O3/c1-14(24)22-7-4-15(5-8-22)19-6-3-17-13-23(9-10-26-17)16-11-18(25)21(2)20-12-16/h11-12,15,17,19H,3-10,13H2,1-2H3
InChIKeyJMDRWUZDJDTMLO-UHFFFAOYSA-N
MW363.46 g/mol
LogP-0.02
Rot. Bonds5

About 5-[2-[2-[(1-acetylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one

5-[2-[2-[(1-acetylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one (PubChem CID 70787066) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-[2-[2-[(1-acetylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[2-[2-[(1-acetylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one
PubChem CID70787066
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name5-[2-[2-[(1-acetylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one
SMILESCC(=O)N1CCC(NCCC2CN(c3cnn(C)c(=O)c3)CCO2)CC1
InChIInChI=1S/C18H29N5O3/c1-14(24)22-7-4-15(5-8-22)19-6-3-17-13-23(9-10-26-17)16-11-18(25)21(2)20-12-16/h11-12,15,17,19H,3-10,13H2,1-2H3
InChIKeyJMDRWUZDJDTMLO-UHFFFAOYSA-N
XLogP-0.02
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-[2-[(1-acetylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[(1-acetylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[2-[2-[(1-acetylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one (CID 70787066) is 5-[2-[2-[(1-acetylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[2-[2-[(1-acetylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[2-[2-[(1-acetylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one is CC(=O)N1CCC(NCCC2CN(c3cnn(C)c(=O)c3)CCO2)CC1.
What is the InChIKey of 5-[2-[2-[(1-acetylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one?
The InChIKey is JMDRWUZDJDTMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-14(24)22-7-4-15(5-8-22)19-6-3-17-13-23(9-10-26-17)16-11-18(25)21(2)20-12-16/h11-12,15,17,19H,3-10,13H2,1-2H3.
What are the key properties of 5-[2-[2-[(1-acetylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one?
5-[2-[2-[(1-acetylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one has a molecular weight of 363.46 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[(1-acetylpiperidin-4-yl)amino]ethyl]morpholin-4-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 70787066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).