N-(1,3-benzodioxol-5-yl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide

C21H21N3O5 — CID 8995887

IUPACN-(1,3-benzodioxol-5-yl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C21H21N3O5/c25-21(22-15-3-4-18-19(10-15)28-13-27-18)14-5-7-24(8-6-14)12-16-11-20(29-23-16)17-2-1-9-26-17/h1-4,9-11,14H,5-8,12-13H2,(H,22,25)
InChIKeyNLKJMIWWPJGMMZ-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.51
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 8995887) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide
PubChem CID8995887
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C21H21N3O5/c25-21(22-15-3-4-18-19(10-15)28-13-27-18)14-5-7-24(8-6-14)12-16-11-20(29-23-16)17-2-1-9-26-17/h1-4,9-11,14H,5-8,12-13H2,(H,22,25)
InChIKeyNLKJMIWWPJGMMZ-UHFFFAOYSA-N
XLogP3.51
TPSA89.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921459
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CID 122138438
N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxamide
CID 8995705
N-(1,3-benzodioxol-5-yl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 3244536
N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17414500
N-(1,3-benzodioxol-5-yl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921462
N-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide
CID 167806403
N-(1,3-benzodioxol-5-yl)-1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8995611
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38137704
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid
CID 43440721
N-(1,3-benzodioxol-5-yl)-1-(3-thiophen-2-ylpropanoyl)piperidine-4-carboxamide
CID 41411099
N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide
CID 8995762

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide (CID 8995887) is N-(1,3-benzodioxol-5-yl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cc(-c3ccco3)on2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide?
The InChIKey is NLKJMIWWPJGMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c25-21(22-15-3-4-18-19(10-15)28-13-27-18)14-5-7-24(8-6-14)12-16-11-20(29-23-16)17-2-1-9-26-17/h1-4,9-11,14H,5-8,12-13H2,(H,22,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 8995887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).