N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-(2-methylphenoxy)acetamide

C21H26N4O4 — CID 51132365

IUPACN-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-(2-methylphenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2ccccc2C)c(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C21H26N4O4/c1-15-6-4-5-7-18(15)29-14-19(27)22-17-8-9-20(28-3)23-21(17)25-12-10-24(11-13-25)16(2)26/h4-9H,10-14H2,1-3H3,(H,22,27)
InChIKeyUGQXSYTUPBBKEU-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.08
Rot. Bonds6

About N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-(2-methylphenoxy)acetamide

N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-(2-methylphenoxy)acetamide (PubChem CID 51132365) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-(2-methylphenoxy)acetamide
PubChem CID51132365
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-(2-methylphenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2ccccc2C)c(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C21H26N4O4/c1-15-6-4-5-7-18(15)29-14-19(27)22-17-8-9-20(28-3)23-21(17)25-12-10-24(11-13-25)16(2)26/h4-9H,10-14H2,1-3H3,(H,22,27)
InChIKeyUGQXSYTUPBBKEU-UHFFFAOYSA-N
XLogP2.08
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-methylpentanamide
CID 75420641
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 16883364
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113011252
(3R)-N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]oxolane-3-carboxamide
CID 95299587
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 17177108
1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 176933932
2-(2-methylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide
CID 7220536
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 3287897
3-hydroxy-4-[[2-(2-methylphenoxy)acetyl]amino]benzoic acid
CID 108744198
methyl 1-methyl-4-[[2-(2-methylphenoxy)acetyl]amino]pyrazole-5-carboxylate
CID 19342293
2-[[2-(2-methylphenoxy)acetyl]amino]benzamide
CID 4268113
N-(2-amino-4-methylphenyl)-2-(2-methylphenoxy)acetamide
CID 43376481

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-(2-methylphenoxy)acetamide (CID 51132365) is N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-(2-methylphenoxy)acetamide is COc1ccc(NC(=O)COc2ccccc2C)c(N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is UGQXSYTUPBBKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-15-6-4-5-7-18(15)29-14-19(27)22-17-8-9-20(28-3)23-21(17)25-12-10-24(11-13-25)16(2)26/h4-9H,10-14H2,1-3H3,(H,22,27).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-(2-methylphenoxy)acetamide?
N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 398.46 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 51132365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).