N-(1,3-benzodioxol-5-yl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide

C20H24N4O4 — CID 16670119

IUPACN-(1,3-benzodioxol-5-yl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESCn1ccnc1C1(O)CC2CCC(C1)N2CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H24N4O4/c1-23-7-6-21-19(23)20(26)9-14-3-4-15(10-20)24(14)11-18(25)22-13-2-5-16-17(8-13)28-12-27-16/h2,5-8,14-15,26H,3-4,9-12H2,1H3,(H,22,25)
InChIKeyRBFHIJBQYMPCJM-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.60
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide (PubChem CID 16670119) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
PubChem CID16670119
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
SMILESCn1ccnc1C1(O)CC2CCC(C1)N2CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H24N4O4/c1-23-7-6-21-19(23)20(26)9-14-3-4-15(10-20)24(14)11-18(25)22-13-2-5-16-17(8-13)28-12-27-16/h2,5-8,14-15,26H,3-4,9-12H2,1H3,(H,22,25)
InChIKeyRBFHIJBQYMPCJM-UHFFFAOYSA-N
XLogP1.60
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 16669795
N-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 43817682
2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 110213885
2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-N-(1,3-benzodioxol-5-yl)acetamide
CID 127347117
N-(1,3-benzodioxol-5-yl)-2-[3-(2-methylsulfanylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]acetamide
CID 171999805
2-[(1R,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 98060149
N-(1,3-benzodioxol-5-yl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916161
N-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 16668097
N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
CID 71800885
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 43040945
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
N-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 43013017

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide (CID 16670119) is N-(1,3-benzodioxol-5-yl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide is Cn1ccnc1C1(O)CC2CCC(C1)N2CC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
The InChIKey is RBFHIJBQYMPCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-23-7-6-21-19(23)20(26)9-14-3-4-15(10-20)24(14)11-18(25)22-13-2-5-16-17(8-13)28-12-27-16/h2,5-8,14-15,26H,3-4,9-12H2,1H3,(H,22,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide is sourced from PubChem (CID 16670119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).