1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride

C14H27Cl2N3O — CID 119887210

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C14H25N3O.2ClH/c18-14(11-12-3-2-6-15-12)17-9-7-16(8-10-17)13-4-1-5-13;;/h12-13,15H,1-11H2;2*1H
InChIKeyRZCMOAOSHKBMNU-UHFFFAOYSA-N
MW324.30 g/mol
LogP1.67
Rot. Bonds3

About 1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride

1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride (PubChem CID 119887210) has the molecular formula C14H27Cl2N3O and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
PubChem CID119887210
Molecular FormulaC14H27Cl2N3O
Molecular Weight324.30 g/mol
Exact Mass323.15
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C14H25N3O.2ClH/c18-14(11-12-3-2-6-15-12)17-9-7-16(8-10-17)13-4-1-5-13;;/h12-13,15H,1-11H2;2*1H
InChIKeyRZCMOAOSHKBMNU-UHFFFAOYSA-N
XLogP1.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941029
2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
CID 119705182
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119834001
4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride
CID 119701502
2,2-dimethyl-1-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119708849
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119783256
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119861929
2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 61364492
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119860173
N-cyclohexyl-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide
CID 119727444

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride (CID 119887210) is 1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride is Cl.Cl.O=C(CC1CCCN1)N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride?
The InChIKey is RZCMOAOSHKBMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O.2ClH/c18-14(11-12-3-2-6-15-12)17-9-7-16(8-10-17)13-4-1-5-13;;/h12-13,15H,1-11H2;2*1H.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride?
1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride has a molecular weight of 324.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride is sourced from PubChem (CID 119887210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).