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

C26H27N5O2 — CID 56679238

IUPACN-(2-propan-2-ylphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C26H27N5O2/c1-17(2)20-8-4-6-10-22(20)28-26(32)31-15-13-19(14-16-31)25-29-24(30-33-25)23-12-11-18-7-3-5-9-21(18)27-23/h3-12,17,19H,13-16H2,1-2H3,(H,28,32)
InChIKeyPJKLBKKRPXQLJS-UHFFFAOYSA-N
MW441.54 g/mol
LogP5.82
Rot. Bonds4

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

N-(2-propan-2-ylphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56679238) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56679238
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-(2-propan-2-ylphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C26H27N5O2/c1-17(2)20-8-4-6-10-22(20)28-26(32)31-15-13-19(14-16-31)25-29-24(30-33-25)23-12-11-18-7-3-5-9-21(18)27-23/h3-12,17,19H,13-16H2,1-2H3,(H,28,32)
InChIKeyPJKLBKKRPXQLJS-UHFFFAOYSA-N
XLogP5.82
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.54
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56679238) is N-(2-propan-2-ylphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is CC(C)c1ccccc1NC(=O)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of N-(2-propan-2-ylphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is PJKLBKKRPXQLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-17(2)20-8-4-6-10-22(20)28-26(32)31-15-13-19(14-16-31)25-29-24(30-33-25)23-12-11-18-7-3-5-9-21(18)27-23/h3-12,17,19H,13-16H2,1-2H3,(H,28,32).
What are the key properties of N-(2-propan-2-ylphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-(2-propan-2-ylphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56679238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).