N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

C21H20N4O5 — CID 42392495

IUPACN-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)c2ccoc2)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H20N4O5/c26-20(14-1-2-17-18(11-14)30-13-29-17)23-19-3-7-22-25(19)16-4-8-24(9-5-16)21(27)15-6-10-28-12-15/h1-3,6-7,10-12,16H,4-5,8-9,13H2,(H,23,26)
InChIKeyWYSJYTONRQMEFH-UHFFFAOYSA-N
MW408.41 g/mol
LogP2.93
Rot. Bonds4

About N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 42392495) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID42392495
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC NameN-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)c2ccoc2)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H20N4O5/c26-20(14-1-2-17-18(11-14)30-13-29-17)23-19-3-7-22-25(19)16-4-8-24(9-5-16)21(27)15-6-10-28-12-15/h1-3,6-7,10-12,16H,4-5,8-9,13H2,(H,23,26)
InChIKeyWYSJYTONRQMEFH-UHFFFAOYSA-N
XLogP2.93
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 56738776
N-[2-[1-(2-oxo-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 25478772
N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 45190290
N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 25292419
N-[2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 56740279
N-[2-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 42289035
N-[2-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 25461156
N-(2-cyclohexylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048496
N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 29028621
N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 24790682
N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 42401439
N-[2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 45250856

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (CID 42392495) is N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccnn1C1CCN(C(=O)c2ccoc2)CC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is WYSJYTONRQMEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5/c26-20(14-1-2-17-18(11-14)30-13-29-17)23-19-3-7-22-25(19)16-4-8-24(9-5-16)21(27)15-6-10-28-12-15/h1-3,6-7,10-12,16H,4-5,8-9,13H2,(H,23,26).
What are the key properties of N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 42392495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).