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

C24H23N5O3 — CID 56665498

IUPAC4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(c2nc(-c3nccc4ccccc34)no2)CC1
InChIInChI=1S/C24H23N5O3/c1-31-20-9-5-4-8-19(20)26-24(30)29-14-11-17(12-15-29)23-27-22(28-32-23)21-18-7-3-2-6-16(18)10-13-25-21/h2-10,13,17H,11-12,14-15H2,1H3,(H,26,30)
InChIKeyMEJADWMTJGGABG-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.70
Rot. Bonds4

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

4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 56665498) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide
PubChem CID56665498
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(c2nc(-c3nccc4ccccc34)no2)CC1
InChIInChI=1S/C24H23N5O3/c1-31-20-9-5-4-8-19(20)26-24(30)29-14-11-17(12-15-29)23-27-22(28-32-23)21-18-7-3-2-6-16(18)10-13-25-21/h2-10,13,17H,11-12,14-15H2,1H3,(H,26,30)
InChIKeyMEJADWMTJGGABG-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-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide (CID 56665498) is 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide is COc1ccccc1NC(=O)N1CCC(c2nc(-c3nccc4ccccc34)no2)CC1.
What is the InChIKey of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is MEJADWMTJGGABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-31-20-9-5-4-8-19(20)26-24(30)29-14-11-17(12-15-29)23-27-22(28-32-23)21-18-7-3-2-6-16(18)10-13-25-21/h2-10,13,17H,11-12,14-15H2,1H3,(H,26,30).
What are the key properties of 4-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide?
4-(3-isoquinolin-1-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-1-yl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 56665498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).