4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-morpholin-4-yl-1H-pyridazin-6-one

C20H25N5O3 — CID 138483782

IUPAC4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-morpholin-4-yl-1H-pyridazin-6-one
SMILESCc1ccccc1CN1CCN(c2cn[nH]c(=O)c2N2CCOCC2)CC1=O
InChIInChI=1S/C20H25N5O3/c1-15-4-2-3-5-16(15)13-25-7-6-24(14-18(25)26)17-12-21-22-20(27)19(17)23-8-10-28-11-9-23/h2-5,12H,6-11,13-14H2,1H3,(H,22,27)
InChIKeyRZKOYHYHOWFDPS-UHFFFAOYSA-N
MW383.45 g/mol
LogP0.76
Rot. Bonds4

About 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-morpholin-4-yl-1H-pyridazin-6-one

4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-morpholin-4-yl-1H-pyridazin-6-one (PubChem CID 138483782) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-morpholin-4-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-morpholin-4-yl-1H-pyridazin-6-one
PubChem CID138483782
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-morpholin-4-yl-1H-pyridazin-6-one
SMILESCc1ccccc1CN1CCN(c2cn[nH]c(=O)c2N2CCOCC2)CC1=O
InChIInChI=1S/C20H25N5O3/c1-15-4-2-3-5-16(15)13-25-7-6-24(14-18(25)26)17-12-21-22-20(27)19(17)23-8-10-28-11-9-23/h2-5,12H,6-11,13-14H2,1H3,(H,22,27)
InChIKeyRZKOYHYHOWFDPS-UHFFFAOYSA-N
XLogP0.76
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-morpholin-4-yl-1H-pyridazin-6-one?
The IUPAC name of 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-morpholin-4-yl-1H-pyridazin-6-one (CID 138483782) is 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-morpholin-4-yl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-morpholin-4-yl-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-morpholin-4-yl-1H-pyridazin-6-one is Cc1ccccc1CN1CCN(c2cn[nH]c(=O)c2N2CCOCC2)CC1=O.
What is the InChIKey of 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-morpholin-4-yl-1H-pyridazin-6-one?
The InChIKey is RZKOYHYHOWFDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-15-4-2-3-5-16(15)13-25-7-6-24(14-18(25)26)17-12-21-22-20(27)19(17)23-8-10-28-11-9-23/h2-5,12H,6-11,13-14H2,1H3,(H,22,27).
What are the key properties of 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-morpholin-4-yl-1H-pyridazin-6-one?
4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-morpholin-4-yl-1H-pyridazin-6-one has a molecular weight of 383.45 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-morpholin-4-yl-1H-pyridazin-6-one is sourced from PubChem (CID 138483782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).