2-(1,3-benzodioxol-5-yloxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide

C18H20N4O4 — CID 90544517

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)Nc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C18H20N4O4/c23-18(10-24-13-4-5-14-15(8-13)26-12-25-14)21-16-9-17(20-11-19-16)22-6-2-1-3-7-22/h4-5,8-9,11H,1-3,6-7,10,12H2,(H,19,20,21,23)
InChIKeyBOKZMXRLUGLGOB-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.21
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yloxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide

2-(1,3-benzodioxol-5-yloxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide (PubChem CID 90544517) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
PubChem CID90544517
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)Nc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C18H20N4O4/c23-18(10-24-13-4-5-14-15(8-13)26-12-25-14)21-16-9-17(20-11-19-16)22-6-2-1-3-7-22/h4-5,8-9,11H,1-3,6-7,10,12H2,(H,19,20,21,23)
InChIKeyBOKZMXRLUGLGOB-UHFFFAOYSA-N
XLogP2.21
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 90544868
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(1,3-benzodioxol-5-yloxy)acetamide
CID 43992237
2-(2,4-dichlorophenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544493
2-(1,3-benzodioxol-5-yloxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90492281
2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739
2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544545
2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544202
2-(4-chlorophenyl)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544473
1-[6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192820
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921
1-(4-methoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544748
2-(1,3-benzodioxol-5-yloxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9137727

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide (CID 90544517) is 2-(1,3-benzodioxol-5-yloxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide is O=C(COc1ccc2c(c1)OCO2)Nc1cc(N2CCCCC2)ncn1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
The InChIKey is BOKZMXRLUGLGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c23-18(10-24-13-4-5-14-15(8-13)26-12-25-14)21-16-9-17(20-11-19-16)22-6-2-1-3-7-22/h4-5,8-9,11H,1-3,6-7,10,12H2,(H,19,20,21,23).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide has a molecular weight of 356.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 90544517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).