2-[2-[2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one

C16H25N5O3 — CID 72893567

IUPAC2-[2-[2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one
SMILESNCC1CN(C(=O)Cn2ncc(N3CCCCC3)cc2=O)CCO1
InChIInChI=1S/C16H25N5O3/c17-9-14-11-20(6-7-24-14)16(23)12-21-15(22)8-13(10-18-21)19-4-2-1-3-5-19/h8,10,14H,1-7,9,11-12,17H2
InChIKeyXEQPCCOQJPWPJP-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.58
Rot. Bonds4

About 2-[2-[2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one

2-[2-[2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 72893567) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[2-[2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID72893567
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name2-[2-[2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one
SMILESNCC1CN(C(=O)Cn2ncc(N3CCCCC3)cc2=O)CCO1
InChIInChI=1S/C16H25N5O3/c17-9-14-11-20(6-7-24-14)16(23)12-21-15(22)8-13(10-18-21)19-4-2-1-3-5-19/h8,10,14H,1-7,9,11-12,17H2
InChIKeyXEQPCCOQJPWPJP-UHFFFAOYSA-N
XLogP-0.58
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-[2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one (CID 72893567) is 2-[2-[2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one is NCC1CN(C(=O)Cn2ncc(N3CCCCC3)cc2=O)CCO1.
What is the InChIKey of 2-[2-[2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is XEQPCCOQJPWPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c17-9-14-11-20(6-7-24-14)16(23)12-21-15(22)8-13(10-18-21)19-4-2-1-3-5-19/h8,10,14H,1-7,9,11-12,17H2.
What are the key properties of 2-[2-[2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one?
2-[2-[2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 335.41 g/mol, XLogP of -0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 72893567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).