N-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide

C20H26N4O2 — CID 50834863

IUPACN-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
SMILESCCc1cccc(NC(=O)COc2cc(C)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C20H26N4O2/c1-3-16-8-7-9-17(13-16)22-18(25)14-26-19-12-15(2)21-20(23-19)24-10-5-4-6-11-24/h7-9,12-13H,3-6,10-11,14H2,1-2H3,(H,22,25)
InChIKeyPEISZGHMSVMNIP-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.36
Rot. Bonds6

About N-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide

N-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide (PubChem CID 50834863) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
PubChem CID50834863
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
SMILESCCc1cccc(NC(=O)COc2cc(C)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C20H26N4O2/c1-3-16-8-7-9-17(13-16)22-18(25)14-26-19-12-15(2)21-20(23-19)24-10-5-4-6-11-24/h7-9,12-13H,3-6,10-11,14H2,1-2H3,(H,22,25)
InChIKeyPEISZGHMSVMNIP-UHFFFAOYSA-N
XLogP3.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethylphenyl)-2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]oxyacetamide
CID 53136811
N-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 50834905
2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 46391547
N-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide
CID 51611391
N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 121090371
N-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide
CID 53129457
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenylmethoxyacetamide
CID 122295935
1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone
CID 95922805
4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine
CID 75358366
1-(3-ethylphenyl)-3-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 91967155
2-(4-methoxyphenoxy)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122295632
2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy-N-[(2-bromo-3-phenylprop-2-enylidene)amino]acetamide
CID 3341179

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide?
The IUPAC name of N-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide (CID 50834863) is N-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide is CCc1cccc(NC(=O)COc2cc(C)nc(N3CCCCC3)n2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide?
The InChIKey is PEISZGHMSVMNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-16-8-7-9-17(13-16)22-18(25)14-26-19-12-15(2)21-20(23-19)24-10-5-4-6-11-24/h7-9,12-13H,3-6,10-11,14H2,1-2H3,(H,22,25).
What are the key properties of N-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide?
N-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide has a molecular weight of 354.45 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 50834863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).