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

C23H27N5O3 — CID 91908233

IUPAC1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-methylindazol-1-yl)butane-1,4-dione
SMILESCc1nn(C(=O)CCC(=O)N2CCC(C)(c3noc(C4CC4)n3)CC2)c2ccccc12
InChIInChI=1S/C23H27N5O3/c1-15-17-5-3-4-6-18(17)28(25-15)20(30)10-9-19(29)27-13-11-23(2,12-14-27)22-24-21(31-26-22)16-7-8-16/h3-6,16H,7-14H2,1-2H3
InChIKeyFZNTVGACRCWAEQ-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.61
Rot. Bonds5

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

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-methylindazol-1-yl)butane-1,4-dione (PubChem CID 91908233) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-methylindazol-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-methylindazol-1-yl)butane-1,4-dione
PubChem CID91908233
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-methylindazol-1-yl)butane-1,4-dione
SMILESCc1nn(C(=O)CCC(=O)N2CCC(C)(c3noc(C4CC4)n3)CC2)c2ccccc12
InChIInChI=1S/C23H27N5O3/c1-15-17-5-3-4-6-18(17)28(25-15)20(30)10-9-19(29)27-13-11-23(2,12-14-27)22-24-21(31-26-22)16-7-8-16/h3-6,16H,7-14H2,1-2H3
InChIKeyFZNTVGACRCWAEQ-UHFFFAOYSA-N
XLogP3.61
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-methylindazol-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-methylindazol-1-yl)butane-1,4-dione (CID 91908233) is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-methylindazol-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-methylindazol-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-methylindazol-1-yl)butane-1,4-dione is Cc1nn(C(=O)CCC(=O)N2CCC(C)(c3noc(C4CC4)n3)CC2)c2ccccc12.
What is the InChIKey of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-methylindazol-1-yl)butane-1,4-dione?
The InChIKey is FZNTVGACRCWAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15-17-5-3-4-6-18(17)28(25-15)20(30)10-9-19(29)27-13-11-23(2,12-14-27)22-24-21(31-26-22)16-7-8-16/h3-6,16H,7-14H2,1-2H3.
What are the key properties of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-methylindazol-1-yl)butane-1,4-dione?
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-4-(3-methylindazol-1-yl)butane-1,4-dione has a molecular weight of 421.50 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 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-methylindazol-1-yl)butane-1,4-dione is sourced from PubChem (CID 91908233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).