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

C24H23N5O3 — CID 56682550

IUPACN-(3-methoxyphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c1
InChIInChI=1S/C24H23N5O3/c1-31-19-7-4-6-18(15-19)25-24(30)29-13-11-17(12-14-29)23-27-22(28-32-23)21-10-9-16-5-2-3-8-20(16)26-21/h2-10,15,17H,11-14H2,1H3,(H,25,30)
InChIKeyLPTRSRUCKOFMEV-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.70
Rot. Bonds4

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

N-(3-methoxyphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56682550) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56682550
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-(3-methoxyphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c1
InChIInChI=1S/C24H23N5O3/c1-31-19-7-4-6-18(15-19)25-24(30)29-13-11-17(12-14-29)23-27-22(28-32-23)21-10-9-16-5-2-3-8-20(16)26-21/h2-10,15,17H,11-14H2,1H3,(H,25,30)
InChIKeyLPTRSRUCKOFMEV-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 N-(3-methoxyphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56682550) is N-(3-methoxyphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is LPTRSRUCKOFMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-31-19-7-4-6-18(15-19)25-24(30)29-13-11-17(12-14-29)23-27-22(28-32-23)21-10-9-16-5-2-3-8-20(16)26-21/h2-10,15,17H,11-14H2,1H3,(H,25,30).
What are the key properties of N-(3-methoxyphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(3-methoxyphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)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 N-(3-methoxyphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56682550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).