2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride

C13H25Cl2N3O — CID 75494695

IUPAC2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.NC1(CC(=O)N2CCN(C3CC3)CC2)CCC1
InChIInChI=1S/C13H23N3O.2ClH/c14-13(4-1-5-13)10-12(17)16-8-6-15(7-9-16)11-2-3-11;;/h11H,1-10,14H2;2*1H
InChIKeyXPZJZVRPTVEVBJ-UHFFFAOYSA-N
MW310.27 g/mol
LogP1.41
Rot. Bonds3

About 2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride

2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride (PubChem CID 75494695) has the molecular formula C13H25Cl2N3O and a molecular weight of 310.27 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride
PubChem CID75494695
Molecular FormulaC13H25Cl2N3O
Molecular Weight310.27 g/mol
Exact Mass309.14
IUPAC Name2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.NC1(CC(=O)N2CCN(C3CC3)CC2)CCC1
InChIInChI=1S/C13H23N3O.2ClH/c14-13(4-1-5-13)10-12(17)16-8-6-15(7-9-16)11-2-3-11;;/h11H,1-10,14H2;2*1H
InChIKeyXPZJZVRPTVEVBJ-UHFFFAOYSA-N
XLogP1.41
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 107217433
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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride (CID 75494695) is 2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride is Cl.Cl.NC1(CC(=O)N2CCN(C3CC3)CC2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride?
The InChIKey is XPZJZVRPTVEVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O.2ClH/c14-13(4-1-5-13)10-12(17)16-8-6-15(7-9-16)11-2-3-11;;/h11H,1-10,14H2;2*1H.
What are the key properties of 2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride?
2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride has a molecular weight of 310.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 75494695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).