N-(1,3-benzodioxol-5-yl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C21H26N4O3 — CID 126467498

IUPACN-(1,3-benzodioxol-5-yl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1c(CN2CCC3(CC2)CC3C(=O)Nc2ccc3c(c2)OCO3)cnn1C
InChIInChI=1S/C21H26N4O3/c1-14-15(11-22-24(14)2)12-25-7-5-21(6-8-25)10-17(21)20(26)23-16-3-4-18-19(9-16)28-13-27-18/h3-4,9,11,17H,5-8,10,12-13H2,1-2H3,(H,23,26)
InChIKeyDJVYZSDHPUVFKO-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.70
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

N-(1,3-benzodioxol-5-yl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126467498) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID126467498
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1c(CN2CCC3(CC2)CC3C(=O)Nc2ccc3c(c2)OCO3)cnn1C
InChIInChI=1S/C21H26N4O3/c1-14-15(11-22-24(14)2)12-25-7-5-21(6-8-25)10-17(21)20(26)23-16-3-4-18-19(9-16)28-13-27-18/h3-4,9,11,17H,5-8,10,12-13H2,1-2H3,(H,23,26)
InChIKeyDJVYZSDHPUVFKO-UHFFFAOYSA-N
XLogP2.70
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125175405
6-(1,3-benzodioxol-5-ylmethyl)-N-(2-methyl-1,3-benzothiazol-5-yl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45165890
(2S,3S)-2-N-(1,3-benzodioxol-5-yl)-5-N,5-N-dimethyl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97372544
(2S)-6-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125159900
N-(1,3-benzodioxol-5-yl)-5-[2-(4-fluorophenyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide
CID 131661543
(2S,3R)-N-(1,3-benzodioxol-5-yl)-5-(4-ethylphenyl)sulfonyl-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493444
6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide
CID 45178295
N-(1,3-benzodioxol-5-yl)-3-methylimidazole-4-carboxamide
CID 110863230
N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide
CID 6470985
N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17439489
N-(1,3-benzodioxol-5-yl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 3244536
N-(1,3-benzodioxol-5-yl)-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921459

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 126467498) is N-(1,3-benzodioxol-5-yl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is Cc1c(CN2CCC3(CC2)CC3C(=O)Nc2ccc3c(c2)OCO3)cnn1C.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is DJVYZSDHPUVFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-15(11-22-24(14)2)12-25-7-5-21(6-8-25)10-17(21)20(26)23-16-3-4-18-19(9-16)28-13-27-18/h3-4,9,11,17H,5-8,10,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-[(1,5-dimethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126467498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).