1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone

C23H30N6O2S — CID 57442705

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2csc(-c3ccncc3)n2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C23H30N6O2S/c30-21(28-14-12-27(13-15-28)19-2-1-3-19)16-26-8-10-29(11-9-26)23(31)20-17-32-22(25-20)18-4-6-24-7-5-18/h4-7,17,19H,1-3,8-16H2
InChIKeyVKBFHEBOWRKMQK-UHFFFAOYSA-N
MW454.60 g/mol
LogP1.66
Rot. Bonds5

About 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 57442705) has the molecular formula C23H30N6O2S and a molecular weight of 454.60 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID57442705
Molecular FormulaC23H30N6O2S
Molecular Weight454.60 g/mol
Exact Mass454.22
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2csc(-c3ccncc3)n2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C23H30N6O2S/c30-21(28-14-12-27(13-15-28)19-2-1-3-19)16-26-8-10-29(11-9-26)23(31)20-17-32-22(25-20)18-4-6-24-7-5-18/h4-7,17,19H,1-3,8-16H2
InChIKeyVKBFHEBOWRKMQK-UHFFFAOYSA-N
XLogP1.66
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255758
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-fluoropyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 58826314
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 57442873
2-[4-(3-bromothiophene-2-carbonyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442614
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 58826275
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(5-ethylthiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 57442730
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-pyrimidin-5-ylphenyl)piperazin-1-yl]ethanone
CID 57443163
1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 57442725
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone
CID 57442857
2-[4-[4-(azepane-1-carbonyl)phenyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442566
[4-[(1-benzylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
CID 3861578
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone
CID 57442752

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone (CID 57442705) is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone is O=C(CN1CCN(C(=O)c2csc(-c3ccncc3)n2)CC1)N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is VKBFHEBOWRKMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2S/c30-21(28-14-12-27(13-15-28)19-2-1-3-19)16-26-8-10-29(11-9-26)23(31)20-17-32-22(25-20)18-4-6-24-7-5-18/h4-7,17,19H,1-3,8-16H2.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 454.60 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 57442705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).