(3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

C20H18ClFN4O2 — CID 1454056

IUPAC(3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C20H18ClFN4O2/c21-16-5-1-2-6-17(16)23-20(27)26-11-3-4-14(12-26)19-24-18(25-28-19)13-7-9-15(22)10-8-13/h1-2,5-10,14H,3-4,11-12H2,(H,23,27)/t14-/m1/s1
InChIKeyPHQOGCPHMOVWOB-CQSZACIVSA-N
MW400.84 g/mol
LogP4.94
Rot. Bonds3

About (3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

(3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 1454056) has the molecular formula C20H18ClFN4O2 and a molecular weight of 400.84 g/mol. Its IUPAC name is (3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID1454056
Molecular FormulaC20H18ClFN4O2
Molecular Weight400.84 g/mol
Exact Mass400.11
IUPAC Name(3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C20H18ClFN4O2/c21-16-5-1-2-6-17(16)23-20(27)26-11-3-4-14(12-26)19-24-18(25-28-19)13-7-9-15(22)10-8-13/h1-2,5-10,14H,3-4,11-12H2,(H,23,27)/t14-/m1/s1
InChIKeyPHQOGCPHMOVWOB-CQSZACIVSA-N
XLogP4.94
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 56526401
(3S)-N-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454054
(3R)-N-(4-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1454055
(3R)-3-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 95596844
N-(2-fluorophenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 6487206
(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 52511029
(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 7219016
N-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 4258615
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 47092633
N-(2-methylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 655381
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 42760899
(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 52508463

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 1454056) is (3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of (3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is PHQOGCPHMOVWOB-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18ClFN4O2/c21-16-5-1-2-6-17(16)23-20(27)26-11-3-4-14(12-26)19-24-18(25-28-19)13-7-9-15(22)10-8-13/h1-2,5-10,14H,3-4,11-12H2,(H,23,27)/t14-/m1/s1.
What are the key properties of (3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
(3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 400.84 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-chlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 1454056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).