2-benzhydryloxy-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone

C24H26N4O3 — CID 86958960

IUPAC2-benzhydryloxy-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone
SMILESCOc1cncc(N2CCN(C(=O)COC(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C24H26N4O3/c1-30-22-17-25-16-21(26-22)27-12-14-28(15-13-27)23(29)18-31-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,16-17,24H,12-15,18H2,1H3
InChIKeyWRZDGTJESDPMEQ-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.94
Rot. Bonds7

About 2-benzhydryloxy-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone

2-benzhydryloxy-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone (PubChem CID 86958960) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-benzhydryloxy-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-benzhydryloxy-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone
PubChem CID86958960
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-benzhydryloxy-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone
SMILESCOc1cncc(N2CCN(C(=O)COC(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C24H26N4O3/c1-30-22-17-25-16-21(26-22)27-12-14-28(15-13-27)23(29)18-31-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,16-17,24H,12-15,18H2,1H3
InChIKeyWRZDGTJESDPMEQ-UHFFFAOYSA-N
XLogP2.94
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzhydryloxy-1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]ethanone
CID 55918533
N-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
CID 86959598
furan-2-yl-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 171690760
2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone
CID 36512164
1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-1-one
CID 86958824
N-[(2S)-butan-2-yl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
CID 95980361
2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 86959656
2-benzhydryloxy-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 55583808
2-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 166710904
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958790
2-(6-methoxypyrazin-2-yl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65262868
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]prop-2-en-1-one
CID 103599769

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-benzhydryloxy-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone (CID 86958960) is 2-benzhydryloxy-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-benzhydryloxy-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-benzhydryloxy-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone is COc1cncc(N2CCN(C(=O)COC(c3ccccc3)c3ccccc3)CC2)n1.
What is the InChIKey of 2-benzhydryloxy-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is WRZDGTJESDPMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-30-22-17-25-16-21(26-22)27-12-14-28(15-13-27)23(29)18-31-24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,16-17,24H,12-15,18H2,1H3.
What are the key properties of 2-benzhydryloxy-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone?
2-benzhydryloxy-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 418.50 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-1-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 86958960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).