5-(3-morpholin-4-ylpropyl)-3-(4-phenylbutanoyl)oxolane-2,4-dione

C21H27NO5 — CID 90764905

IUPAC5-(3-morpholin-4-ylpropyl)-3-(4-phenylbutanoyl)oxolane-2,4-dione
SMILESO=C(CCCc1ccccc1)C1C(=O)OC(CCCN2CCOCC2)C1=O
InChIInChI=1S/C21H27NO5/c23-17(9-4-8-16-6-2-1-3-7-16)19-20(24)18(27-21(19)25)10-5-11-22-12-14-26-15-13-22/h1-3,6-7,18-19H,4-5,8-15H2
InChIKeyJQVYRCKBMNCGQU-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.80
Rot. Bonds9

About 5-(3-morpholin-4-ylpropyl)-3-(4-phenylbutanoyl)oxolane-2,4-dione

5-(3-morpholin-4-ylpropyl)-3-(4-phenylbutanoyl)oxolane-2,4-dione (PubChem CID 90764905) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 5-(3-morpholin-4-ylpropyl)-3-(4-phenylbutanoyl)oxolane-2,4-dione.

Molecular Properties

Compound Name5-(3-morpholin-4-ylpropyl)-3-(4-phenylbutanoyl)oxolane-2,4-dione
PubChem CID90764905
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name5-(3-morpholin-4-ylpropyl)-3-(4-phenylbutanoyl)oxolane-2,4-dione
SMILESO=C(CCCc1ccccc1)C1C(=O)OC(CCCN2CCOCC2)C1=O
InChIInChI=1S/C21H27NO5/c23-17(9-4-8-16-6-2-1-3-7-16)19-20(24)18(27-21(19)25)10-5-11-22-12-14-26-15-13-22/h1-3,6-7,18-19H,4-5,8-15H2
InChIKeyJQVYRCKBMNCGQU-UHFFFAOYSA-N
XLogP1.80
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(Piperidin-1-yl)propan-2-yl 3-phenylpropanoate
CID 2930161
Ethyl 4-(3-phenylpropyl)-1-(tetrahydro-2-furanylcarbonyl)-4-piperidinecarboxylate
CID 16188948
1-Piperidin-1-ylpropan-2-yl 3-phenylpropanoate;hydrochloride
CID 2930160
2(3H)-Furanone, dihydro-5-(morpholinocarbonyl)-3-phenyl-
CID 39082
2(3H)-Furanone, dihydro-3-(4-morpholinylmethyl)-4-phenyl-
CID 3043538
1-Benzyl-4-(2-oxo-3-methoxycarbonyl-5-acetoxy-pentyl)-piperidine
CID 563046
Ethyl 3-benzyl-4-morpholin-4-ylbutanoate
CID 166446817
Ethyl 1-[2-[3-(2-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate
CID 55368290
Ethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate
CID 55380370
[1-(4-Methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-(3-fluorophenyl)-2-methylpropanoate
CID 133592399
[2-(2-Ethylmorpholin-4-yl)-2-oxoethyl] 3-(3-fluorophenyl)-2-methylpropanoate
CID 133592678
Methyl 1-[2-[3-(3-fluorophenyl)-2-methylpropanoyl]oxypropanoyl]piperidine-4-carboxylate
CID 133592700

Frequently Asked Questions

What is the IUPAC name of 5-(3-morpholin-4-ylpropyl)-3-(4-phenylbutanoyl)oxolane-2,4-dione?
The IUPAC name of 5-(3-morpholin-4-ylpropyl)-3-(4-phenylbutanoyl)oxolane-2,4-dione (CID 90764905) is 5-(3-morpholin-4-ylpropyl)-3-(4-phenylbutanoyl)oxolane-2,4-dione.
What is the SMILES notation for 5-(3-morpholin-4-ylpropyl)-3-(4-phenylbutanoyl)oxolane-2,4-dione?
The canonical SMILES for 5-(3-morpholin-4-ylpropyl)-3-(4-phenylbutanoyl)oxolane-2,4-dione is O=C(CCCc1ccccc1)C1C(=O)OC(CCCN2CCOCC2)C1=O.
What is the InChIKey of 5-(3-morpholin-4-ylpropyl)-3-(4-phenylbutanoyl)oxolane-2,4-dione?
The InChIKey is JQVYRCKBMNCGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c23-17(9-4-8-16-6-2-1-3-7-16)19-20(24)18(27-21(19)25)10-5-11-22-12-14-26-15-13-22/h1-3,6-7,18-19H,4-5,8-15H2.
What are the key properties of 5-(3-morpholin-4-ylpropyl)-3-(4-phenylbutanoyl)oxolane-2,4-dione?
5-(3-morpholin-4-ylpropyl)-3-(4-phenylbutanoyl)oxolane-2,4-dione has a molecular weight of 373.45 g/mol, XLogP of 1.80, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-morpholin-4-ylpropyl)-3-(4-phenylbutanoyl)oxolane-2,4-dione is sourced from PubChem (CID 90764905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).