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

C25H24N4O3 — CID 56665497

IUPACN-(2-methoxyphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4c3)no2)CC1
InChIInChI=1S/C25H24N4O3/c1-31-22-9-5-4-8-21(22)26-25(30)29-14-12-18(13-15-29)24-27-23(28-32-24)20-11-10-17-6-2-3-7-19(17)16-20/h2-11,16,18H,12-15H2,1H3,(H,26,30)
InChIKeyVYMQWNORDFGDSY-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.31
Rot. Bonds4

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

N-(2-methoxyphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56665497) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56665497
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-(2-methoxyphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4c3)no2)CC1
InChIInChI=1S/C25H24N4O3/c1-31-22-9-5-4-8-21(22)26-25(30)29-14-12-18(13-15-29)24-27-23(28-32-24)20-11-10-17-6-2-3-7-19(17)16-20/h2-11,16,18H,12-15H2,1H3,(H,26,30)
InChIKeyVYMQWNORDFGDSY-UHFFFAOYSA-N
XLogP5.31
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56665497) is N-(2-methoxyphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is COc1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4c3)no2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is VYMQWNORDFGDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-31-22-9-5-4-8-21(22)26-25(30)29-14-12-18(13-15-29)24-27-23(28-32-24)20-11-10-17-6-2-3-7-19(17)16-20/h2-11,16,18H,12-15H2,1H3,(H,26,30).
What are the key properties of N-(2-methoxyphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(2-methoxyphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56665497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).