2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one

C21H27N5O3 — CID 52901373

IUPAC2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
SMILESO=C(Cn1nc(N2CCOCC2)ccc1=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H27N5O3/c27-20-7-6-19(24-12-14-29-15-13-24)22-26(20)17-21(28)25-10-8-23(9-11-25)16-18-4-2-1-3-5-18/h1-7H,8-17H2
InChIKeyJEXAWOCZRACXLI-UHFFFAOYSA-N
MW397.48 g/mol
LogP0.42
Rot. Bonds5

About 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one

2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one (PubChem CID 52901373) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
PubChem CID52901373
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
SMILESO=C(Cn1nc(N2CCOCC2)ccc1=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H27N5O3/c27-20-7-6-19(24-12-14-29-15-13-24)22-26(20)17-21(28)25-10-8-23(9-11-25)16-18-4-2-1-3-5-18/h1-7H,8-17H2
InChIKeyJEXAWOCZRACXLI-UHFFFAOYSA-N
XLogP0.42
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
CID 52900090
2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide
CID 51052835
1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone
CID 110411980
benzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate
CID 70929123
2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one
CID 53371030
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517215
N-(3,3-diphenylpropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide
CID 52898033
6-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 122160609
1-(4-benzylpiperazin-1-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55446651
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-bromopyridin-2-one
CID 37317226
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
2-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]-6-(4-phenylpiperazin-1-yl)pyridazin-3-one
CID 46283288

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one (CID 52901373) is 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one is O=C(Cn1nc(N2CCOCC2)ccc1=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one?
The InChIKey is JEXAWOCZRACXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c27-20-7-6-19(24-12-14-29-15-13-24)22-26(20)17-21(28)25-10-8-23(9-11-25)16-18-4-2-1-3-5-18/h1-7H,8-17H2.
What are the key properties of 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one?
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one has a molecular weight of 397.48 g/mol, XLogP of 0.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 52901373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).