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

C23H21N5O2 — CID 56658697

IUPACN-phenyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C23H21N5O2/c29-23(24-18-7-2-1-3-8-18)28-14-12-17(13-15-28)22-26-21(27-30-22)20-11-10-16-6-4-5-9-19(16)25-20/h1-11,17H,12-15H2,(H,24,29)
InChIKeyGUMUZLCLLWJBPF-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.70
Rot. Bonds3

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

N-phenyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 56658697) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-phenyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID56658697
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-phenyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C23H21N5O2/c29-23(24-18-7-2-1-3-8-18)28-14-12-17(13-15-28)22-26-21(27-30-22)20-11-10-16-6-4-5-9-19(16)25-20/h1-11,17H,12-15H2,(H,24,29)
InChIKeyGUMUZLCLLWJBPF-UHFFFAOYSA-N
XLogP4.70
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-phenyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 56658697) is N-phenyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-phenyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of N-phenyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is GUMUZLCLLWJBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-23(24-18-7-2-1-3-8-18)28-14-12-17(13-15-28)22-26-21(27-30-22)20-11-10-16-6-4-5-9-19(16)25-20/h1-11,17H,12-15H2,(H,24,29).
What are the key properties of N-phenyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-phenyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56658697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).