4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride

C12H25Cl2N3O — CID 119887218

IUPAC4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride
SMILESCl.Cl.NCCCC(=O)N1CCN(C2CCC2)CC1
InChIInChI=1S/C12H23N3O.2ClH/c13-6-2-5-12(16)15-9-7-14(8-10-15)11-3-1-4-11;;/h11H,1-10,13H2;2*1H
InChIKeyPOJCAPOKEVKJJB-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.27
Rot. Bonds4

About 4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride

4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride (PubChem CID 119887218) has the molecular formula C12H25Cl2N3O and a molecular weight of 298.26 g/mol. Its IUPAC name is 4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride
PubChem CID119887218
Molecular FormulaC12H25Cl2N3O
Molecular Weight298.26 g/mol
Exact Mass297.14
IUPAC Name4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride
SMILESCl.Cl.NCCCC(=O)N1CCN(C2CCC2)CC1
InChIInChI=1S/C12H23N3O.2ClH/c13-6-2-5-12(16)15-9-7-14(8-10-15)11-3-1-4-11;;/h11H,1-10,13H2;2*1H
InChIKeyPOJCAPOKEVKJJB-UHFFFAOYSA-N
XLogP1.27
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83634844
1-(4-cyclopropylpiperazin-1-yl)-5-hydroxypentan-1-one
CID 79199162
4-chloro-1-(4-cyclopropylpiperazin-1-yl)butan-1-one
CID 63308048
4-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119894988
4-(4-aminobutanoyl)piperazine-1-carboxylic acid
CID 122623364
4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one
CID 60946858
4-cyclobutylpiperazine-1-carboxamide
CID 53426578
4-amino-N-(1-cyclopentylpiperidin-4-yl)butanamide;dihydrochloride
CID 119846701
4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid
CID 4742011
4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564504
1-(4-cyclopentylpiperazin-1-yl)-3-(cyclopropylamino)propan-1-one
CID 62368291
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride?
The IUPAC name of 4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride (CID 119887218) is 4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride.
What is the SMILES notation for 4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride?
The canonical SMILES for 4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride is Cl.Cl.NCCCC(=O)N1CCN(C2CCC2)CC1.
What is the InChIKey of 4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride?
The InChIKey is POJCAPOKEVKJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.2ClH/c13-6-2-5-12(16)15-9-7-14(8-10-15)11-3-1-4-11;;/h11H,1-10,13H2;2*1H.
What are the key properties of 4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride?
4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride has a molecular weight of 298.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-cyclobutylpiperazin-1-yl)butan-1-one;dihydrochloride is sourced from PubChem (CID 119887218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).