N-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide

C21H28N4O3 — CID 51611391

IUPACN-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide
SMILESCCOc1ccc(NC(=O)COc2cc(C)nc(N3CCC[C@H](C)C3)n2)cc1
InChIInChI=1S/C21H28N4O3/c1-4-27-18-9-7-17(8-10-18)23-19(26)14-28-20-12-16(3)22-21(24-20)25-11-5-6-15(2)13-25/h7-10,12,15H,4-6,11,13-14H2,1-3H3,(H,23,26)/t15-/m0/s1
InChIKeyYUGHCOLVVHIQKA-HNNXBMFYSA-N
MW384.48 g/mol
LogP3.44
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide

N-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide (PubChem CID 51611391) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide
PubChem CID51611391
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide
SMILESCCOc1ccc(NC(=O)COc2cc(C)nc(N3CCC[C@H](C)C3)n2)cc1
InChIInChI=1S/C21H28N4O3/c1-4-27-18-9-7-17(8-10-18)23-19(26)14-28-20-12-16(3)22-21(24-20)25-11-5-6-15(2)13-25/h7-10,12,15H,4-6,11,13-14H2,1-3H3,(H,23,26)/t15-/m0/s1
InChIKeyYUGHCOLVVHIQKA-HNNXBMFYSA-N
XLogP3.44
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide
CID 53129457
N-(2-chloro-4-fluorophenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide
CID 95092261
4-amino-N-(4-ethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 53490819
N-(4-butoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224267
N-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 50834905
2-(4-methoxyphenoxy)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122295632
N-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 50834863
2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141474
6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109333992
1-(4-ethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352293
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-3-amine
CID 112634785
ethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109332006

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide (CID 51611391) is N-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide is CCOc1ccc(NC(=O)COc2cc(C)nc(N3CCC[C@H](C)C3)n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide?
The InChIKey is YUGHCOLVVHIQKA-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-4-27-18-9-7-17(8-10-18)23-19(26)14-28-20-12-16(3)22-21(24-20)25-11-5-6-15(2)13-25/h7-10,12,15H,4-6,11,13-14H2,1-3H3,(H,23,26)/t15-/m0/s1.
What are the key properties of N-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide?
N-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide has a molecular weight of 384.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 51611391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).