4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid

C19H22N4O4 — CID 69050390

IUPAC4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
SMILESCC(=O)Nc1ccc(-c2cnc(OCC3CCN(C(=O)O)CC3)nc2)cc1
InChIInChI=1S/C19H22N4O4/c1-13(24)22-17-4-2-15(3-5-17)16-10-20-18(21-11-16)27-12-14-6-8-23(9-7-14)19(25)26/h2-5,10-11,14H,6-9,12H2,1H3,(H,22,24)(H,25,26)
InChIKeyJVEPDDMVWGXSIK-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.87
Rot. Bonds5

About 4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid

4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid (PubChem CID 69050390) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
PubChem CID69050390
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
SMILESCC(=O)Nc1ccc(-c2cnc(OCC3CCN(C(=O)O)CC3)nc2)cc1
InChIInChI=1S/C19H22N4O4/c1-13(24)22-17-4-2-15(3-5-17)16-10-20-18(21-11-16)27-12-14-6-8-23(9-7-14)19(25)26/h2-5,10-11,14H,6-9,12H2,1H3,(H,22,24)(H,25,26)
InChIKeyJVEPDDMVWGXSIK-UHFFFAOYSA-N
XLogP2.87
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 25103232
4-[[5-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 69050918
4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 69051251
tert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 69051857
N-[4-[4-[(1-acetylpiperidin-4-yl)methylsulfamoyl]phenyl]phenyl]acetamide
CID 166195615
4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid
CID 141216978
4-[2-[2-[5-(4-prop-2-enoxyanilino)pyrimidin-2-yl]oxyethoxy]ethoxymethyl]piperidine-1-carboxylic acid
CID 155045578
4-[[4-(4-propan-2-ylsulfanylphenyl)phenoxy]methyl]piperidine-1-carboxylic acid
CID 141216994
N-[4-[5-(4-methylphenyl)pyrimidin-2-yl]oxyphenyl]acetamide
CID 5065684
4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid
CID 68604731
4-[[[5-(4-methylsulfonylphenyl)-2-pyridinyl]amino]methyl]piperidine-1-carboxylic acid
CID 68862512
4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 68965618

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid (CID 69050390) is 4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid is CC(=O)Nc1ccc(-c2cnc(OCC3CCN(C(=O)O)CC3)nc2)cc1.
What is the InChIKey of 4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid?
The InChIKey is JVEPDDMVWGXSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-13(24)22-17-4-2-15(3-5-17)16-10-20-18(21-11-16)27-12-14-6-8-23(9-7-14)19(25)26/h2-5,10-11,14H,6-9,12H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid?
4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69050390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).