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

C21H19FN4O4 — CID 51696692

IUPAC(3S)-3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1
InChIInChI=1S/C21H19FN4O4/c22-15-4-6-16(7-5-15)23-21(27)26-9-1-2-14(11-26)20-25-24-19(30-20)13-3-8-17-18(10-13)29-12-28-17/h3-8,10,14H,1-2,9,11-12H2,(H,23,27)/t14-/m0/s1
InChIKeyGBEPNRBZYHURFL-AWEZNQCLSA-N
MW410.41 g/mol
LogP4.02
Rot. Bonds3

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

(3S)-3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide (PubChem CID 51696692) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is (3S)-3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
PubChem CID51696692
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC Name(3S)-3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1
InChIInChI=1S/C21H19FN4O4/c22-15-4-6-16(7-5-15)23-21(27)26-9-1-2-14(11-26)20-25-24-19(30-20)13-3-8-17-18(10-13)29-12-28-17/h3-8,10,14H,1-2,9,11-12H2,(H,23,27)/t14-/m0/s1
InChIKeyGBEPNRBZYHURFL-AWEZNQCLSA-N
XLogP4.02
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 51696702
3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121069705
1-[4-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 121068948
N-(3-chlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 121069742
1-[(3S)-3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 51895990
2-(1,3-benzodioxol-5-yl)-5-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]-1,3,4-oxadiazole
CID 121069563
(3R)-N-(4-fluorophenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 30863766
[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 121069044
N-(4-tert-butylphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 121069721
1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 121069321
[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 121068958
1-[3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-(4-chlorophenyl)butane-1,4-dione
CID 121068939

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide (CID 51696692) is (3S)-3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1.
What is the InChIKey of (3S)-3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is GBEPNRBZYHURFL-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19FN4O4/c22-15-4-6-16(7-5-15)23-21(27)26-9-1-2-14(11-26)20-25-24-19(30-20)13-3-8-17-18(10-13)29-12-28-17/h3-8,10,14H,1-2,9,11-12H2,(H,23,27)/t14-/m0/s1.
What are the key properties of (3S)-3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
(3S)-3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 410.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 51696692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).