1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione

C23H27N5O4 — CID 91908232

IUPAC1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
SMILESCC1(c2noc(C3CC3)n2)CCN(C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C23H27N5O4/c1-23(22-25-21(32-26-22)15-6-7-15)10-12-27(13-11-23)19(30)8-9-20(31)28-14-18(29)24-16-4-2-3-5-17(16)28/h2-5,15H,6-14H2,1H3,(H,24,29)
InChIKeyKHAJKFIMHFTRBR-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.59
Rot. Bonds5

About 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione (PubChem CID 91908232) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
PubChem CID91908232
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
SMILESCC1(c2noc(C3CC3)n2)CCN(C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C23H27N5O4/c1-23(22-25-21(32-26-22)15-6-7-15)10-12-27(13-11-23)19(30)8-9-20(31)28-14-18(29)24-16-4-2-3-5-17(16)28/h2-5,15H,6-14H2,1H3,(H,24,29)
InChIKeyKHAJKFIMHFTRBR-UHFFFAOYSA-N
XLogP2.59
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione?
The IUPAC name of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione (CID 91908232) is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione.
What is the SMILES notation for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione?
The canonical SMILES for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione is CC1(c2noc(C3CC3)n2)CCN(C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1.
What is the InChIKey of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione?
The InChIKey is KHAJKFIMHFTRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-23(22-25-21(32-26-22)15-6-7-15)10-12-27(13-11-23)19(30)8-9-20(31)28-14-18(29)24-16-4-2-3-5-17(16)28/h2-5,15H,6-14H2,1H3,(H,24,29).
What are the key properties of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione?
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione has a molecular weight of 437.50 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione is sourced from PubChem (CID 91908232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).