1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide

C23H24N4O3 — CID 24817823

IUPAC1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)C1CCCCN1Cc1cccc2c1OCO2
InChIInChI=1S/C23H24N4O3/c28-23(25-18-8-10-19(11-9-18)27-14-4-12-24-27)20-6-1-2-13-26(20)15-17-5-3-7-21-22(17)30-16-29-21/h3-5,7-12,14,20H,1-2,6,13,15-16H2,(H,25,28)
InChIKeyXGRYGAIKHPTPSI-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.59
Rot. Bonds5

About 1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide

1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide (PubChem CID 24817823) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
PubChem CID24817823
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)cc1)C1CCCCN1Cc1cccc2c1OCO2
InChIInChI=1S/C23H24N4O3/c28-23(25-18-8-10-19(11-9-18)27-14-4-12-24-27)20-6-1-2-13-26(20)15-17-5-3-7-21-22(17)30-16-29-21/h3-5,7-12,14,20H,1-2,6,13,15-16H2,(H,25,28)
InChIKeyXGRYGAIKHPTPSI-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide (CID 24817823) is 1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide is O=C(Nc1ccc(-n2cccn2)cc1)C1CCCCN1Cc1cccc2c1OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
The InChIKey is XGRYGAIKHPTPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-23(25-18-8-10-19(11-9-18)27-14-4-12-24-27)20-6-1-2-13-26(20)15-17-5-3-7-21-22(17)30-16-29-21/h3-5,7-12,14,20H,1-2,6,13,15-16H2,(H,25,28).
What are the key properties of 1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-4-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 24817823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).