N-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

C19H24N4O2 — CID 136565035

IUPACN-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCc1cc(N2CCCC(NC(=O)c3cccc4c3OCC4)C2)n(C)n1
InChIInChI=1S/C19H24N4O2/c1-13-11-17(22(2)21-13)23-9-4-6-15(12-23)20-19(24)16-7-3-5-14-8-10-25-18(14)16/h3,5,7,11,15H,4,6,8-10,12H2,1-2H3,(H,20,24)
InChIKeyZCPGJRIVWYZKHK-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.06
Rot. Bonds3

About N-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

N-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 136565035) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID136565035
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCc1cc(N2CCCC(NC(=O)c3cccc4c3OCC4)C2)n(C)n1
InChIInChI=1S/C19H24N4O2/c1-13-11-17(22(2)21-13)23-9-4-6-15(12-23)20-19(24)16-7-3-5-14-8-10-25-18(14)16/h3,5,7,11,15H,4,6,8-10,12H2,1-2H3,(H,20,24)
InChIKeyZCPGJRIVWYZKHK-UHFFFAOYSA-N
XLogP2.06
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 136565035) is N-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide is Cc1cc(N2CCCC(NC(=O)c3cccc4c3OCC4)C2)n(C)n1.
What is the InChIKey of N-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is ZCPGJRIVWYZKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-11-17(22(2)21-13)23-9-4-6-15(12-23)20-19(24)16-7-3-5-14-8-10-25-18(14)16/h3,5,7,11,15H,4,6,8-10,12H2,1-2H3,(H,20,24).
What are the key properties of N-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 136565035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).