1,3-benzodioxol-5-yl-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C21H20N4O3 — CID 16670110

IUPAC1,3-benzodioxol-5-yl-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCC(c2[nH]ncc2-c2ccncc2)CC1
InChIInChI=1S/C21H20N4O3/c26-21(16-1-2-18-19(11-16)28-13-27-18)25-9-5-15(6-10-25)20-17(12-23-24-20)14-3-7-22-8-4-14/h1-4,7-8,11-12,15H,5-6,9-10,13H2,(H,23,24)
InChIKeyYCXONLNKBFHPQW-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.22
Rot. Bonds3

About 1,3-benzodioxol-5-yl-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

1,3-benzodioxol-5-yl-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 16670110) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID16670110
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1,3-benzodioxol-5-yl-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCC(c2[nH]ncc2-c2ccncc2)CC1
InChIInChI=1S/C21H20N4O3/c26-21(16-1-2-18-19(11-16)28-13-27-18)25-9-5-15(6-10-25)20-17(12-23-24-20)14-3-7-22-8-4-14/h1-4,7-8,11-12,15H,5-6,9-10,13H2,(H,23,24)
InChIKeyYCXONLNKBFHPQW-UHFFFAOYSA-N
XLogP3.22
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-benzodioxol-5-yl-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-benzodioxol-5-yl-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 16669558
1,3-benzodioxol-5-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124961819
2,3-dihydro-1,4-benzodioxin-6-yl-[4-[4-(2-phenylethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 26339406
1,3-benzodioxol-5-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565610
1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124985003
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557429
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-(1,2-thiazol-4-yl)methanone
CID 110214007
[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 119278638
1,3-benzodioxol-5-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120823239
2,3-dihydro-1,4-benzodioxin-6-yl-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 16670177

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 16670110) is 1,3-benzodioxol-5-yl-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCC(c2[nH]ncc2-c2ccncc2)CC1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is YCXONLNKBFHPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-21(16-1-2-18-19(11-16)28-13-27-18)25-9-5-15(6-10-25)20-17(12-23-24-20)14-3-7-22-8-4-14/h1-4,7-8,11-12,15H,5-6,9-10,13H2,(H,23,24).
What are the key properties of 1,3-benzodioxol-5-yl-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
1,3-benzodioxol-5-yl-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 376.42 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 16670110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).