1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one

C21H28N4O3 — CID 86958824

IUPAC1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one
SMILESCOc1cncc(N2CCN(C(=O)CCOc3cc(C)cc(C)c3C)CC2)n1
InChIInChI=1S/C21H28N4O3/c1-15-11-16(2)17(3)18(12-15)28-10-5-21(26)25-8-6-24(7-9-25)19-13-22-14-20(23-19)27-4/h11-14H,5-10H2,1-4H3
InChIKeyLDOWEMSONMEBPB-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.53
Rot. Bonds6

About 1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one

1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one (PubChem CID 86958824) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one
PubChem CID86958824
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one
SMILESCOc1cncc(N2CCN(C(=O)CCOc3cc(C)cc(C)c3C)CC2)n1
InChIInChI=1S/C21H28N4O3/c1-15-11-16(2)17(3)18(12-15)28-10-5-21(26)25-8-6-24(7-9-25)19-13-22-14-20(23-19)27-4/h11-14H,5-10H2,1-4H3
InChIKeyLDOWEMSONMEBPB-UHFFFAOYSA-N
XLogP2.53
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one with MolForge

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Related Compounds

2-benzhydryloxy-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone
CID 86958960
1-(3-aminopiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-1-one
CID 119378169
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one
CID 119662243
3-(2,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 27665246
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 16883280
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121035022
2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine
CID 86959684
[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958860
furan-2-yl-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 171690760
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one;hydrochloride
CID 119631733
1-(azocan-1-yl)-3-(2,4-dimethylphenoxy)propan-1-one
CID 55575535
1-(4-acetyl-1,4-diazepan-1-yl)-3-(2,4-dimethylphenoxy)propan-1-one
CID 134035369

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one?
The IUPAC name of 1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one (CID 86958824) is 1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one.
What is the SMILES notation for 1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one?
The canonical SMILES for 1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one is COc1cncc(N2CCN(C(=O)CCOc3cc(C)cc(C)c3C)CC2)n1.
What is the InChIKey of 1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one?
The InChIKey is LDOWEMSONMEBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15-11-16(2)17(3)18(12-15)28-10-5-21(26)25-8-6-24(7-9-25)19-13-22-14-20(23-19)27-4/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one?
1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one has a molecular weight of 384.48 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one is sourced from PubChem (CID 86958824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).