4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride

C12H25Cl2N3O — CID 120564504

IUPAC4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride
SMILESCC(N)CCC(=O)N1CCN(C2CC2)CC1.Cl.Cl
InChIInChI=1S/C12H23N3O.2ClH/c1-10(13)2-5-12(16)15-8-6-14(7-9-15)11-3-4-11;;/h10-11H,2-9,13H2,1H3;2*1H
InChIKeyUFUFXQROAAYSQC-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.26
Rot. Bonds4

About 4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride

4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride (PubChem CID 120564504) has the molecular formula C12H25Cl2N3O and a molecular weight of 298.26 g/mol. Its IUPAC name is 4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride.

Molecular Properties

Compound Name4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride
PubChem CID120564504
Molecular FormulaC12H25Cl2N3O
Molecular Weight298.26 g/mol
Exact Mass297.14
IUPAC Name4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride
SMILESCC(N)CCC(=O)N1CCN(C2CC2)CC1.Cl.Cl
InChIInChI=1S/C12H23N3O.2ClH/c1-10(13)2-5-12(16)15-8-6-14(7-9-15)11-3-4-11;;/h10-11H,2-9,13H2,1H3;2*1H
InChIKeyUFUFXQROAAYSQC-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one
CID 120565746
4-amino-1-(4-pyrrolidin-1-ylazepan-1-yl)pentan-1-one;dihydrochloride
CID 120565731
4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120560088
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120562620
4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride
CID 120561009
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one
CID 120562621
4-amino-1-[4-[2-(diethylamino)acetyl]piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120565339
4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid
CID 4742011
4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181825
8-amino-1-[4-(1-azacyclohept-4-yn-1-yl)piperidin-1-yl]nonan-1-one
CID 167071443
4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120564429

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride?
The IUPAC name of 4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride (CID 120564504) is 4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride.
What is the SMILES notation for 4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride?
The canonical SMILES for 4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride is CC(N)CCC(=O)N1CCN(C2CC2)CC1.Cl.Cl.
What is the InChIKey of 4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride?
The InChIKey is UFUFXQROAAYSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.2ClH/c1-10(13)2-5-12(16)15-8-6-14(7-9-15)11-3-4-11;;/h10-11H,2-9,13H2,1H3;2*1H.
What are the key properties of 4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride?
4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride has a molecular weight of 298.26 g/mol, XLogP of 1.26, 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-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride is sourced from PubChem (CID 120564504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).