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

C21H19ClN4O4 — CID 50769336

IUPACN-(1,3-benzodioxol-5-yl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1
InChIInChI=1S/C21H19ClN4O4/c22-16-4-2-1-3-15(16)19-24-20(30-25-19)13-7-9-26(10-8-13)21(27)23-14-5-6-17-18(11-14)29-12-28-17/h1-6,11,13H,7-10,12H2,(H,23,27)
InChIKeyQHZMZYYCKZJZSL-UHFFFAOYSA-N
MW426.86 g/mol
LogP4.53
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 50769336) has the molecular formula C21H19ClN4O4 and a molecular weight of 426.86 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID50769336
Molecular FormulaC21H19ClN4O4
Molecular Weight426.86 g/mol
Exact Mass426.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1
InChIInChI=1S/C21H19ClN4O4/c22-16-4-2-1-3-15(16)19-24-20(30-25-19)13-7-9-26(10-8-13)21(27)23-14-5-6-17-18(11-14)29-12-28-17/h1-6,11,13H,7-10,12H2,(H,23,27)
InChIKeyQHZMZYYCKZJZSL-UHFFFAOYSA-N
XLogP4.53
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.86
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide
CID 46296092
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56554967
N-(3-chloro-4-fluorophenyl)-4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 3347014
[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone
CID 648228
N-[4-[4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]phenyl]acetamide
CID 50925853
N-(1,3-benzodioxol-5-yl)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 70721336
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346190
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
N-(3-chloro-4-methylphenyl)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 5161033
N-(2,4-dichlorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 5207523
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479
N-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 44629230

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 50769336) is N-(1,3-benzodioxol-5-yl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is O=C(Nc1ccc2c(c1)OCO2)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is QHZMZYYCKZJZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O4/c22-16-4-2-1-3-15(16)19-24-20(30-25-19)13-7-9-26(10-8-13)21(27)23-14-5-6-17-18(11-14)29-12-28-17/h1-6,11,13H,7-10,12H2,(H,23,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 426.86 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 50769336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).