N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

C21H22N4O4 — CID 24790587

IUPACN-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C21H22N4O4/c1-28-18-5-3-2-4-17(18)20(26)23-19-6-10-22-25(19)16-7-11-24(12-8-16)21(27)15-9-13-29-14-15/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,23,26)
InChIKeyXFOUEOOBDHBKKY-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.21
Rot. Bonds5

About N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 24790587) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
PubChem CID24790587
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C21H22N4O4/c1-28-18-5-3-2-4-17(18)20(26)23-19-6-10-22-25(19)16-7-11-24(12-8-16)21(27)15-9-13-29-14-15/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,23,26)
InChIKeyXFOUEOOBDHBKKY-UHFFFAOYSA-N
XLogP3.21
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (CID 24790587) is N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is XFOUEOOBDHBKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-28-18-5-3-2-4-17(18)20(26)23-19-6-10-22-25(19)16-7-11-24(12-8-16)21(27)15-9-13-29-14-15/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3,(H,23,26).
What are the key properties of N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 394.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 24790587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).