N-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide

C19H21N3O4 — CID 16668097

IUPACN-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H21N3O4/c23-18(21-14-4-5-15-16(11-14)26-13-25-15)12-22-9-6-19(24,7-10-22)17-3-1-2-8-20-17/h1-5,8,11,24H,6-7,9-10,12-13H2,(H,21,23)
InChIKeyYFBJTNUHHIEEMD-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.73
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide (PubChem CID 16668097) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
PubChem CID16668097
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H21N3O4/c23-18(21-14-4-5-15-16(11-14)26-13-25-15)12-22-9-6-19(24,7-10-22)17-3-1-2-8-20-17/h1-5,8,11,24H,6-7,9-10,12-13H2,(H,21,23)
InChIKeyYFBJTNUHHIEEMD-UHFFFAOYSA-N
XLogP1.73
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 166605999
N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide
CID 1158540
2-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 172892684
N-(1,3-benzodioxol-5-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 13210213
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride
CID 21228925
N-(1,3-benzodioxol-5-yl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916161
2-[3-(benzimidazol-1-ylmethyl)-3-hydroxypiperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 110224272
N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide
CID 3220947
N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 17435797
2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 16667942
N,N-diethyl-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 126468258
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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide (CID 16668097) is N-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide is O=C(CN1CCC(O)(c2ccccn2)CC1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide?
The InChIKey is YFBJTNUHHIEEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-18(21-14-4-5-15-16(11-14)26-13-25-15)12-22-9-6-19(24,7-10-22)17-3-1-2-8-20-17/h1-5,8,11,24H,6-7,9-10,12-13H2,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide has a molecular weight of 355.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 16668097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).