N-(2-phenylcyclopropyl)-4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

C24H23F3N4O2 — CID 45269104

IUPACN-(2-phenylcyclopropyl)-4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCC(c2nc(-c3ccccc3C(F)(F)F)no2)CC1
InChIInChI=1S/C24H23F3N4O2/c25-24(26,27)19-9-5-4-8-17(19)21-29-22(33-30-21)16-10-12-31(13-11-16)23(32)28-20-14-18(20)15-6-2-1-3-7-15/h1-9,16,18,20H,10-14H2,(H,28,32)
InChIKeyAEUILRDAXLSTHQ-UHFFFAOYSA-N
MW456.47 g/mol
LogP5.20
Rot. Bonds4

About N-(2-phenylcyclopropyl)-4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

N-(2-phenylcyclopropyl)-4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 45269104) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is N-(2-phenylcyclopropyl)-4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylcyclopropyl)-4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID45269104
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC NameN-(2-phenylcyclopropyl)-4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCC(c2nc(-c3ccccc3C(F)(F)F)no2)CC1
InChIInChI=1S/C24H23F3N4O2/c25-24(26,27)19-9-5-4-8-17(19)21-29-22(33-30-21)16-10-12-31(13-11-16)23(32)28-20-14-18(20)15-6-2-1-3-7-15/h1-9,16,18,20H,10-14H2,(H,28,32)
InChIKeyAEUILRDAXLSTHQ-UHFFFAOYSA-N
XLogP5.20
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.47
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylcyclopropyl)-4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-phenylcyclopropyl)-4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 45269104) is N-(2-phenylcyclopropyl)-4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-phenylcyclopropyl)-4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-phenylcyclopropyl)-4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is O=C(NC1CC1c1ccccc1)N1CCC(c2nc(-c3ccccc3C(F)(F)F)no2)CC1.
What is the InChIKey of N-(2-phenylcyclopropyl)-4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is AEUILRDAXLSTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c25-24(26,27)19-9-5-4-8-17(19)21-29-22(33-30-21)16-10-12-31(13-11-16)23(32)28-20-14-18(20)15-6-2-1-3-7-15/h1-9,16,18,20H,10-14H2,(H,28,32).
What are the key properties of N-(2-phenylcyclopropyl)-4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-(2-phenylcyclopropyl)-4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylcyclopropyl)-4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 45269104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).