1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone

C22H36N4O2 — CID 57443139

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone
SMILESCCC(C)N1CCN(C(=O)CN2CCN(c3ccc(OC)cc3)C(C)C2)CC1
InChIInChI=1S/C22H36N4O2/c1-5-18(2)24-11-13-25(14-12-24)22(27)17-23-10-15-26(19(3)16-23)20-6-8-21(28-4)9-7-20/h6-9,18-19H,5,10-17H2,1-4H3
InChIKeyUUUSPOZHAYJWDC-UHFFFAOYSA-N
MW388.56 g/mol
LogP2.15
Rot. Bonds6

About 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone

1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone (PubChem CID 57443139) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone
PubChem CID57443139
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone
SMILESCCC(C)N1CCN(C(=O)CN2CCN(c3ccc(OC)cc3)C(C)C2)CC1
InChIInChI=1S/C22H36N4O2/c1-5-18(2)24-11-13-25(14-12-24)22(27)17-23-10-15-26(19(3)16-23)20-6-8-21(28-4)9-7-20/h6-9,18-19H,5,10-17H2,1-4H3
InChIKeyUUUSPOZHAYJWDC-UHFFFAOYSA-N
XLogP2.15
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-2-methyl-4-pentan-3-ylpiperazine
CID 20735315
2-[4-(4-bromophenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 143404087
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 57442577
1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride
CID 20519338
2-(4-methoxyphenyl)-1-[4-[2-oxo-2-(4-pentan-3-ylpiperazin-1-yl)ethyl]piperazin-1-yl]butan-1-one
CID 143404259
N-(2,5-dimethoxyphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 17376696
1-(4-benzhydrylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 55411668
1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone
CID 3641786
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]ethanone
CID 57442936
2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone
CID 3772999
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethanone
CID 57442920

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone (CID 57443139) is 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone is CCC(C)N1CCN(C(=O)CN2CCN(c3ccc(OC)cc3)C(C)C2)CC1.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone?
The InChIKey is UUUSPOZHAYJWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c1-5-18(2)24-11-13-25(14-12-24)22(27)17-23-10-15-26(19(3)16-23)20-6-8-21(28-4)9-7-20/h6-9,18-19H,5,10-17H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone?
1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone has a molecular weight of 388.56 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 57443139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).