1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one

C24H30N2O4 — CID 158087137

IUPAC1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one
SMILESCCC(=O)c1cc(C(=O)CCCC2CN(C)CCO2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C24H30N2O4/c1-3-22(27)21-14-19(16-26(24(21)29)15-18-8-5-4-6-9-18)23(28)11-7-10-20-17-25(2)12-13-30-20/h4-6,8-9,14,16,20H,3,7,10-13,15,17H2,1-2H3
InChIKeyFNQMEEIPVWJJHM-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.17
Rot. Bonds9

About 1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one

1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one (PubChem CID 158087137) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one
PubChem CID158087137
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one
SMILESCCC(=O)c1cc(C(=O)CCCC2CN(C)CCO2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C24H30N2O4/c1-3-22(27)21-14-19(16-26(24(21)29)15-18-8-5-4-6-9-18)23(28)11-7-10-20-17-25(2)12-13-30-20/h4-6,8-9,14,16,20H,3,7,10-13,15,17H2,1-2H3
InChIKeyFNQMEEIPVWJJHM-UHFFFAOYSA-N
XLogP3.17
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-[4-(1-benzyl-6-oxo-5-propanoyl-3-pyridinyl)-4-oxobutyl]morpholine-4-carboxylate
CID 146967144
5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride
CID 159507544
1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide
CID 159534697
1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide
CID 157088108
2-[2-[[1-benzyl-5-(ethylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]ethyl]morpholine-4-carboxylic acid
CID 126721221
5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 148828457
tert-butyl 2-[3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]morpholine-4-carboxylate
CID 126721219
1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide
CID 126721311
1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one
CID 79183064
1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea
CID 110747007
1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide
CID 47086922
5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 160649778

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one?
The IUPAC name of 1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one (CID 158087137) is 1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one.
What is the SMILES notation for 1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one?
The canonical SMILES for 1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one is CCC(=O)c1cc(C(=O)CCCC2CN(C)CCO2)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one?
The InChIKey is FNQMEEIPVWJJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-3-22(27)21-14-19(16-26(24(21)29)15-18-8-5-4-6-9-18)23(28)11-7-10-20-17-25(2)12-13-30-20/h4-6,8-9,14,16,20H,3,7,10-13,15,17H2,1-2H3.
What are the key properties of 1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one?
1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one has a molecular weight of 410.51 g/mol, XLogP of 3.17, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one is sourced from PubChem (CID 158087137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).