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

C20H20FN5O2 — CID 53338110

IUPACN-[(4-fluorophenyl)methyl]-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCCCC1c1nc(-c2ccncc2)no1
InChIInChI=1S/C20H20FN5O2/c21-16-6-4-14(5-7-16)13-23-20(27)26-12-2-1-3-17(26)19-24-18(25-28-19)15-8-10-22-11-9-15/h4-11,17H,1-3,12-13H2,(H,23,27)
InChIKeyZYBACRNWOJQCAS-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.71
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 53338110) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID53338110
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCCCC1c1nc(-c2ccncc2)no1
InChIInChI=1S/C20H20FN5O2/c21-16-6-4-14(5-7-16)13-23-20(27)26-12-2-1-3-17(26)19-24-18(25-28-19)15-8-10-22-11-9-15/h4-11,17H,1-3,12-13H2,(H,23,27)
InChIKeyZYBACRNWOJQCAS-UHFFFAOYSA-N
XLogP3.71
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 95057690
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 53338102
(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 95058066
(2R)-N-benzyl-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7301605
N-benzyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 5214054
(2R)-N-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 812741
cyclopropyl-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 42760653
(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 7373907
cyclohexyl-[(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 813131
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70717848
(2R)-N-(4-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 95116608
1-[(2R)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 95110773

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 53338110) is N-[(4-fluorophenyl)methyl]-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCCCC1c1nc(-c2ccncc2)no1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is ZYBACRNWOJQCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-16-6-4-14(5-7-16)13-23-20(27)26-12-2-1-3-17(26)19-24-18(25-28-19)15-8-10-22-11-9-15/h4-11,17H,1-3,12-13H2,(H,23,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 53338110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).