2-[3-(benzimidazol-1-ylmethyl)-3-hydroxypiperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide

C22H24N4O4 — CID 110224272

IUPAC2-[3-(benzimidazol-1-ylmethyl)-3-hydroxypiperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESO=C(CN1CCCC(O)(Cn2cnc3ccccc32)C1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C22H24N4O4/c27-21(24-16-6-7-19-20(10-16)30-15-29-19)11-25-9-3-8-22(28,12-25)13-26-14-23-17-4-1-2-5-18(17)26/h1-2,4-7,10,14,28H,3,8-9,11-13,15H2,(H,24,27)
InChIKeyOONHEYIYHLRRHH-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.23
Rot. Bonds5

About 2-[3-(benzimidazol-1-ylmethyl)-3-hydroxypiperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide

2-[3-(benzimidazol-1-ylmethyl)-3-hydroxypiperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 110224272) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[3-(benzimidazol-1-ylmethyl)-3-hydroxypiperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[3-(benzimidazol-1-ylmethyl)-3-hydroxypiperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID110224272
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name2-[3-(benzimidazol-1-ylmethyl)-3-hydroxypiperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESO=C(CN1CCCC(O)(Cn2cnc3ccccc32)C1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C22H24N4O4/c27-21(24-16-6-7-19-20(10-16)30-15-29-19)11-25-9-3-8-22(28,12-25)13-26-14-23-17-4-1-2-5-18(17)26/h1-2,4-7,10,14,28H,3,8-9,11-13,15H2,(H,24,27)
InChIKeyOONHEYIYHLRRHH-UHFFFAOYSA-N
XLogP2.23
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 16668097
N-(1,3-benzodioxol-5-yl)-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028639
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 714396
N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 17435797
(2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 39036581
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 11940591
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride
CID 21228925
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide
CID 1158540
N-(1,3-benzodioxol-5-yl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916161
N-(1,3-benzodioxol-5-yl)-3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)propanamide
CID 53064059
N-[[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029186

Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzimidazol-1-ylmethyl)-3-hydroxypiperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[3-(benzimidazol-1-ylmethyl)-3-hydroxypiperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide (CID 110224272) is 2-[3-(benzimidazol-1-ylmethyl)-3-hydroxypiperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[3-(benzimidazol-1-ylmethyl)-3-hydroxypiperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[3-(benzimidazol-1-ylmethyl)-3-hydroxypiperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide is O=C(CN1CCCC(O)(Cn2cnc3ccccc32)C1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[3-(benzimidazol-1-ylmethyl)-3-hydroxypiperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is OONHEYIYHLRRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c27-21(24-16-6-7-19-20(10-16)30-15-29-19)11-25-9-3-8-22(28,12-25)13-26-14-23-17-4-1-2-5-18(17)26/h1-2,4-7,10,14,28H,3,8-9,11-13,15H2,(H,24,27).
What are the key properties of 2-[3-(benzimidazol-1-ylmethyl)-3-hydroxypiperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide?
2-[3-(benzimidazol-1-ylmethyl)-3-hydroxypiperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 408.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzimidazol-1-ylmethyl)-3-hydroxypiperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 110224272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).