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

C23H24N4O3 — CID 24794343

IUPACN-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H24N4O3/c28-23(18-6-7-20-21(14-18)30-16-29-20)25-22-8-11-24-27(22)19-9-12-26(13-10-19)15-17-4-2-1-3-5-17/h1-8,11,14,19H,9-10,12-13,15-16H2,(H,25,28)
InChIKeyODXLSAOQCAVKLT-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.70
Rot. Bonds5

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

N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 24794343) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID24794343
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H24N4O3/c28-23(18-6-7-20-21(14-18)30-16-29-20)25-22-8-11-24-27(22)19-9-12-26(13-10-19)15-17-4-2-1-3-5-17/h1-8,11,14,19H,9-10,12-13,15-16H2,(H,25,28)
InChIKeyODXLSAOQCAVKLT-UHFFFAOYSA-N
XLogP3.70
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (CID 24794343) is N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccnn1C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is ODXLSAOQCAVKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-23(18-6-7-20-21(14-18)30-16-29-20)25-22-8-11-24-27(22)19-9-12-26(13-10-19)15-17-4-2-1-3-5-17/h1-8,11,14,19H,9-10,12-13,15-16H2,(H,25,28).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 24794343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).