1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone

C23H34N4O2S — CID 57442752

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone
SMILESCCSc1ccc(C(=O)N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1
InChIInChI=1S/C23H34N4O2S/c1-2-30-21-8-6-19(7-9-21)23(29)27-12-10-24(11-13-27)18-22(28)26-16-14-25(15-17-26)20-4-3-5-20/h6-9,20H,2-5,10-18H2,1H3
InChIKeyIIZBRTFDOJJTMA-UHFFFAOYSA-N
MW430.62 g/mol
LogP2.25
Rot. Bonds6

About 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 57442752) has the molecular formula C23H34N4O2S and a molecular weight of 430.62 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone
PubChem CID57442752
Molecular FormulaC23H34N4O2S
Molecular Weight430.62 g/mol
Exact Mass430.24
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone
SMILESCCSc1ccc(C(=O)N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1
InChIInChI=1S/C23H34N4O2S/c1-2-30-21-8-6-19(7-9-21)23(29)27-12-10-24(11-13-27)18-22(28)26-16-14-25(15-17-26)20-4-3-5-20/h6-9,20H,2-5,10-18H2,1H3
InChIKeyIIZBRTFDOJJTMA-UHFFFAOYSA-N
XLogP2.25
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(azepane-1-carbonyl)phenyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442566
N-[1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-4-ethylsulfanylbenzamide;molecular hydrogen
CID 143404377
2-[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442549
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 57442873
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442402
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 57442730
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 58826275
2-[4-(4-methylsulfanylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858899
1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 57442579
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 58826231
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 57442744
[2-(4-cyclobutylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-(4-ethylsulfanylphenyl)methanone
CID 59670073

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone (CID 57442752) is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone is CCSc1ccc(C(=O)N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone?
The InChIKey is IIZBRTFDOJJTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2S/c1-2-30-21-8-6-19(7-9-21)23(29)27-12-10-24(11-13-27)18-22(28)26-16-14-25(15-17-26)20-4-3-5-20/h6-9,20H,2-5,10-18H2,1H3.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 430.62 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 57442752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).