4-(3-isoquinolin-3-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide

C24H23N5O3 — CID 44629295

IUPAC4-(3-isoquinolin-3-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(c2nc(-c3cc4ccccc4cn3)no2)CC1
InChIInChI=1S/C24H23N5O3/c1-31-21-9-5-4-8-19(21)26-24(30)29-12-10-16(11-13-29)23-27-22(28-32-23)20-14-17-6-2-3-7-18(17)15-25-20/h2-9,14-16H,10-13H2,1H3,(H,26,30)
InChIKeyZXSJKFQUKOHAAN-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.70
Rot. Bonds4

About 4-(3-isoquinolin-3-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide

4-(3-isoquinolin-3-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 44629295) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-(3-isoquinolin-3-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-isoquinolin-3-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide
PubChem CID44629295
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name4-(3-isoquinolin-3-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(c2nc(-c3cc4ccccc4cn3)no2)CC1
InChIInChI=1S/C24H23N5O3/c1-31-21-9-5-4-8-19(21)26-24(30)29-12-10-16(11-13-29)23-27-22(28-32-23)20-14-17-6-2-3-7-18(17)15-25-20/h2-9,14-16H,10-13H2,1H3,(H,26,30)
InChIKeyZXSJKFQUKOHAAN-UHFFFAOYSA-N
XLogP4.70
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-isoquinolin-3-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-isoquinolin-3-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide (CID 44629295) is 4-(3-isoquinolin-3-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-isoquinolin-3-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-isoquinolin-3-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide is COc1ccccc1NC(=O)N1CCC(c2nc(-c3cc4ccccc4cn3)no2)CC1.
What is the InChIKey of 4-(3-isoquinolin-3-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is ZXSJKFQUKOHAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-31-21-9-5-4-8-19(21)26-24(30)29-12-10-16(11-13-29)23-27-22(28-32-23)20-14-17-6-2-3-7-18(17)15-25-20/h2-9,14-16H,10-13H2,1H3,(H,26,30).
What are the key properties of 4-(3-isoquinolin-3-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide?
4-(3-isoquinolin-3-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-isoquinolin-3-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 44629295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).