3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride

C17H31Cl2N5O — CID 120982733

IUPAC3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
SMILESCCc1nccn1C1CCCN(CCC(=O)N2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C17H29N5O.2ClH/c1-2-16-19-8-13-22(16)15-4-3-9-20(14-15)10-5-17(23)21-11-6-18-7-12-21;;/h8,13,15,18H,2-7,9-12,14H2,1H3;2*1H
InChIKeyXNWNKYNKJVOHRW-UHFFFAOYSA-N
MW392.38 g/mol
LogP1.75
Rot. Bonds5

About 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride

3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride (PubChem CID 120982733) has the molecular formula C17H31Cl2N5O and a molecular weight of 392.38 g/mol. Its IUPAC name is 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
PubChem CID120982733
Molecular FormulaC17H31Cl2N5O
Molecular Weight392.38 g/mol
Exact Mass391.19
IUPAC Name3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
SMILESCCc1nccn1C1CCCN(CCC(=O)N2CCNCC2)C1.Cl.Cl
InChIInChI=1S/C17H29N5O.2ClH/c1-2-16-19-8-13-22(16)15-4-3-9-20(14-15)10-5-17(23)21-11-6-18-7-12-21;;/h8,13,15,18H,2-7,9-12,14H2,1H3;2*1H
InChIKeyXNWNKYNKJVOHRW-UHFFFAOYSA-N
XLogP1.75
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-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

2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
4-[3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrazine-2,3-dione
CID 154748019
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119881407
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122081545
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95606548
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342
(2S)-2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119881387
N-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-3-yl]propanamide
CID 120981335
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119881376
3-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120503836

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The IUPAC name of 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride (CID 120982733) is 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride.
What is the SMILES notation for 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The canonical SMILES for 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride is CCc1nccn1C1CCCN(CCC(=O)N2CCNCC2)C1.Cl.Cl.
What is the InChIKey of 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The InChIKey is XNWNKYNKJVOHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O.2ClH/c1-2-16-19-8-13-22(16)15-4-3-9-20(14-15)10-5-17(23)21-11-6-18-7-12-21;;/h8,13,15,18H,2-7,9-12,14H2,1H3;2*1H.
What are the key properties of 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride has a molecular weight of 392.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 120982733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).