6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide

C23H24N2O4 — CID 45178295

IUPAC6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CC12CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2
InChIInChI=1S/C23H24N2O4/c26-21(13-16-6-7-19-20(12-16)29-15-28-19)25-10-8-23(9-11-25)14-18(23)22(27)24-17-4-2-1-3-5-17/h1-7,12,18H,8-11,13-15H2,(H,24,27)
InChIKeyGUNMCLVTDNAECO-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.23
Rot. Bonds4

About 6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide

6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45178295) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID45178295
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(Nc1ccccc1)C1CC12CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2
InChIInChI=1S/C23H24N2O4/c26-21(13-16-6-7-19-20(12-16)29-15-28-19)25-10-8-23(9-11-25)14-18(23)22(27)24-17-4-2-1-3-5-17/h1-7,12,18H,8-11,13-15H2,(H,24,27)
InChIKeyGUNMCLVTDNAECO-UHFFFAOYSA-N
XLogP3.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-[(4-phenyloxan-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26324463
6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174732
N-(1,3-benzodioxol-5-yl)-5-[2-(4-fluorophenyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide
CID 131661543
8-[2-(1,3-benzodioxol-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72863629
2-(1,3-benzodioxol-5-yl)-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 162625550
(2S)-6-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125159900
(2S,3S)-2-N-(1,3-benzodioxol-5-yl)-5-N,5-N-dimethyl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97372544
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-N-phenylpropanamide
CID 108950404
(2S)-N-(1,3-benzodioxol-5-yl)-6-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125175405
(2S)-N-(3,4-difluorophenyl)-6-[2-(4-methylsulfanylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42438229
2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-hydroxypiperidin-4-yl]acetate
CID 21300891
(2R)-6-[(E)-2-methylbut-2-enoyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide
CID 26329891

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide (CID 45178295) is 6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide is O=C(Nc1ccccc1)C1CC12CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2.
What is the InChIKey of 6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is GUNMCLVTDNAECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-21(13-16-6-7-19-20(12-16)29-15-28-19)25-10-8-23(9-11-25)14-18(23)22(27)24-17-4-2-1-3-5-17/h1-7,12,18H,8-11,13-15H2,(H,24,27).
What are the key properties of 6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide?
6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,3-benzodioxol-5-yl)acetyl]-N-phenyl-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45178295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).