1-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione

C24H33N3O4 — CID 23913506

IUPAC1-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione
SMILESCCCCC1COC(=O)N1C1CCN(C(=O)CCC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C24H33N3O4/c1-2-3-7-20-17-31-24(30)27(20)19-12-14-25(15-13-19)22(28)9-10-23(29)26-16-11-18-6-4-5-8-21(18)26/h4-6,8,19-20H,2-3,7,9-17H2,1H3
InChIKeyZHUKWZXEWOTKSL-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.36
Rot. Bonds7

About 1-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione

1-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione (PubChem CID 23913506) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione
PubChem CID23913506
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name1-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione
SMILESCCCCC1COC(=O)N1C1CCN(C(=O)CCC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C24H33N3O4/c1-2-3-7-20-17-31-24(30)27(20)19-12-14-25(15-13-19)22(28)9-10-23(29)26-16-11-18-6-4-5-8-21(18)26/h4-6,8,19-20H,2-3,7,9-17H2,1H3
InChIKeyZHUKWZXEWOTKSL-UHFFFAOYSA-N
XLogP3.36
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272
4-butyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23939940
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]furan-2-carboxamide
CID 3831963
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one
CID 113006316
3-[1-(2-bromo-4,5-dimethoxybenzoyl)piperidin-4-yl]-4-butyl-1,3-oxazolidin-2-one
CID 23879688
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium
CID 2443776
N-cyclopropyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113115408
5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 42910412
4-butyl-3-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23819407

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione?
The IUPAC name of 1-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione (CID 23913506) is 1-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione.
What is the SMILES notation for 1-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione?
The canonical SMILES for 1-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione is CCCCC1COC(=O)N1C1CCN(C(=O)CCC(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 1-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione?
The InChIKey is ZHUKWZXEWOTKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-2-3-7-20-17-31-24(30)27(20)19-12-14-25(15-13-19)22(28)9-10-23(29)26-16-11-18-6-4-5-8-21(18)26/h4-6,8,19-20H,2-3,7,9-17H2,1H3.
What are the key properties of 1-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione?
1-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione has a molecular weight of 427.55 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-4-(2,3-dihydroindol-1-yl)butane-1,4-dione is sourced from PubChem (CID 23913506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).