1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride

C14H30Cl2N4O — CID 119379909

IUPAC1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride
SMILESCCN1CCN(CCC(=O)N2CCCC(N)C2)CC1.Cl.Cl
InChIInChI=1S/C14H28N4O.2ClH/c1-2-16-8-10-17(11-9-16)7-5-14(19)18-6-3-4-13(15)12-18;;/h13H,2-12,15H2,1H3;2*1H
InChIKeyVHPLLIHQTZVPLA-UHFFFAOYSA-N
MW341.33 g/mol
LogP0.81
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride

1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride (PubChem CID 119379909) has the molecular formula C14H30Cl2N4O and a molecular weight of 341.33 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride
PubChem CID119379909
Molecular FormulaC14H30Cl2N4O
Molecular Weight341.33 g/mol
Exact Mass340.18
IUPAC Name1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride
SMILESCCN1CCN(CCC(=O)N2CCCC(N)C2)CC1.Cl.Cl
InChIInChI=1S/C14H28N4O.2ClH/c1-2-16-8-10-17(11-9-16)7-5-14(19)18-6-3-4-13(15)12-18;;/h13H,2-12,15H2,1H3;2*1H
InChIKeyVHPLLIHQTZVPLA-UHFFFAOYSA-N
XLogP0.81
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 115277222
1-[(3R)-3-aminopiperidin-1-yl]-4-ethoxybutan-1-one
CID 102978557
3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109018325
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 82511431
1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride
CID 119377867
1-[(3R)-3-aminopiperidin-1-yl]pent-4-en-1-one
CID 94547441
3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
CID 174181009
1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one
CID 115277271
1-(3-aminopiperidin-1-yl)-2-propoxyethanone;hydrochloride
CID 119378739
1-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride
CID 119380481

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride (CID 119379909) is 1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride is CCN1CCN(CCC(=O)N2CCCC(N)C2)CC1.Cl.Cl.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride?
The InChIKey is VHPLLIHQTZVPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O.2ClH/c1-2-16-8-10-17(11-9-16)7-5-14(19)18-6-3-4-13(15)12-18;;/h13H,2-12,15H2,1H3;2*1H.
What are the key properties of 1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride?
1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride has a molecular weight of 341.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-3-(4-ethylpiperazin-1-yl)propan-1-one;dihydrochloride is sourced from PubChem (CID 119379909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).