4-[2-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione

C15H23N3O5 — CID 72876061

IUPAC4-[2-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione
SMILESCOCC[C@]1(O)CCN(C(=O)Cc2cc(=O)[nH][nH]c2=O)C[C@H]1C
InChIInChI=1S/C15H23N3O5/c1-10-9-18(5-3-15(10,22)4-6-23-2)13(20)8-11-7-12(19)16-17-14(11)21/h7,10,22H,3-6,8-9H2,1-2H3,(H,16,19)(H,17,21)/t10-,15-/m1/s1
InChIKeyGLNYFVWLMNLMMU-MEBBXXQBSA-N
MW325.37 g/mol
LogP-0.76
Rot. Bonds5

About 4-[2-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione

4-[2-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione (PubChem CID 72876061) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[2-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione.

Molecular Properties

Compound Name4-[2-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione
PubChem CID72876061
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name4-[2-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione
SMILESCOCC[C@]1(O)CCN(C(=O)Cc2cc(=O)[nH][nH]c2=O)C[C@H]1C
InChIInChI=1S/C15H23N3O5/c1-10-9-18(5-3-15(10,22)4-6-23-2)13(20)8-11-7-12(19)16-17-14(11)21/h7,10,22H,3-6,8-9H2,1-2H3,(H,16,19)(H,17,21)/t10-,15-/m1/s1
InChIKeyGLNYFVWLMNLMMU-MEBBXXQBSA-N
XLogP-0.76
TPSA115.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione?
The IUPAC name of 4-[2-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione (CID 72876061) is 4-[2-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione.
What is the SMILES notation for 4-[2-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione?
The canonical SMILES for 4-[2-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione is COCC[C@]1(O)CCN(C(=O)Cc2cc(=O)[nH][nH]c2=O)C[C@H]1C.
What is the InChIKey of 4-[2-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione?
The InChIKey is GLNYFVWLMNLMMU-MEBBXXQBSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-10-9-18(5-3-15(10,22)4-6-23-2)13(20)8-11-7-12(19)16-17-14(11)21/h7,10,22H,3-6,8-9H2,1-2H3,(H,16,19)(H,17,21)/t10-,15-/m1/s1.
What are the key properties of 4-[2-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione?
4-[2-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione has a molecular weight of 325.37 g/mol, XLogP of -0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione is sourced from PubChem (CID 72876061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).