4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one

C24H30N4O4 — CID 127250123

IUPAC4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one
SMILESCCOc1ccc(Cc2cccc(C3CN(C(=O)CN4CCNC(=O)C4)CCO3)n2)cc1
InChIInChI=1S/C24H30N4O4/c1-2-31-20-8-6-18(7-9-20)14-19-4-3-5-21(26-19)22-15-28(12-13-32-22)24(30)17-27-11-10-25-23(29)16-27/h3-9,22H,2,10-17H2,1H3,(H,25,29)
InChIKeyMXCHMPXSYNJREZ-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.40
Rot. Bonds7

About 4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one

4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one (PubChem CID 127250123) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one
PubChem CID127250123
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one
SMILESCCOc1ccc(Cc2cccc(C3CN(C(=O)CN4CCNC(=O)C4)CCO3)n2)cc1
InChIInChI=1S/C24H30N4O4/c1-2-31-20-8-6-18(7-9-20)14-19-4-3-5-21(26-19)22-15-28(12-13-32-22)24(30)17-27-11-10-25-23(29)16-27/h3-9,22H,2,10-17H2,1H3,(H,25,29)
InChIKeyMXCHMPXSYNJREZ-UHFFFAOYSA-N
XLogP1.40
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one with MolForge

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Related Compounds

1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one
CID 127250033
[(2S)-2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 125020350
2-(3,5-dimethylpyrazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250000
1-[(2S)-2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124951977
[2-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone
CID 132779340
2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 110364487
3-(benzimidazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 132772651
3-(2-ethylimidazol-1-yl)-1-[(2R)-2-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 125000008
1-[2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(4-ethoxyphenyl)ethanone
CID 121134501
1-[2-[4-[(4-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 127251454
1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 110112348
2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 125005496

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one?
The IUPAC name of 4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one (CID 127250123) is 4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one is CCOc1ccc(Cc2cccc(C3CN(C(=O)CN4CCNC(=O)C4)CCO3)n2)cc1.
What is the InChIKey of 4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one?
The InChIKey is MXCHMPXSYNJREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-2-31-20-8-6-18(7-9-20)14-19-4-3-5-21(26-19)22-15-28(12-13-32-22)24(30)17-27-11-10-25-23(29)16-27/h3-9,22H,2,10-17H2,1H3,(H,25,29).
What are the key properties of 4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one?
4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one has a molecular weight of 438.53 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 127250123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).