3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one

C20H27N3O3 — CID 45242730

IUPAC3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(CCC(=O)N2CCOC(CCCc3ccccc3)C2)=NN1
InChIInChI=1S/C20H27N3O3/c24-19-11-9-17(21-22-19)10-12-20(25)23-13-14-26-18(15-23)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,18H,4,7-15H2,(H,22,24)
InChIKeyJHCQPSRXVAEOPW-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.28
Rot. Bonds7

About 3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one

3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 45242730) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID45242730
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(CCC(=O)N2CCOC(CCCc3ccccc3)C2)=NN1
InChIInChI=1S/C20H27N3O3/c24-19-11-9-17(21-22-19)10-12-20(25)23-13-14-26-18(15-23)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,18H,4,7-15H2,(H,22,24)
InChIKeyJHCQPSRXVAEOPW-UHFFFAOYSA-N
XLogP2.28
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one with MolForge

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Related Compounds

1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42241699
3-(1-methylpyrazol-4-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 26317752
3-(3-amino-1H-1,2,4-triazol-5-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 56865446
methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate
CID 25379116
3-(1,2-oxazolidin-2-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 42147501
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
3-(oxazinan-2-yl)-1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 25489234
3-(oxazinan-2-yl)-1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 25489229
1-[2-(3-phenylpropyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 45214839
1-[2-(chloromethyl)morpholin-4-yl]-4-phenylbutan-1-one
CID 81210940
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
(3R)-4-benzyl-3-ethyl-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1,4-diazepan-5-one
CID 95476481

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one (CID 45242730) is 3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(CCC(=O)N2CCOC(CCCc3ccccc3)C2)=NN1.
What is the InChIKey of 3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is JHCQPSRXVAEOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-19-11-9-17(21-22-19)10-12-20(25)23-13-14-26-18(15-23)8-4-7-16-5-2-1-3-6-16/h1-3,5-6,18H,4,7-15H2,(H,22,24).
What are the key properties of 3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 357.45 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 45242730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).