(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride

C11H23Cl2N3O — CID 119032238

IUPAC(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
SMILESCCN1CCN(C(=O)C2CCCN2)CC1.Cl.Cl
InChIInChI=1S/C11H21N3O.2ClH/c1-2-13-6-8-14(9-7-13)11(15)10-4-3-5-12-10;;/h10,12H,2-9H2,1H3;2*1H
InChIKeyFOHBZMCUIUEOBY-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.75
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride

(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride (PubChem CID 119032238) has the molecular formula C11H23Cl2N3O and a molecular weight of 284.23 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
PubChem CID119032238
Molecular FormulaC11H23Cl2N3O
Molecular Weight284.23 g/mol
Exact Mass283.12
IUPAC Name(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
SMILESCCN1CCN(C(=O)C2CCCN2)CC1.Cl.Cl
InChIInChI=1S/C11H21N3O.2ClH/c1-2-13-6-8-14(9-7-13)11(15)10-4-3-5-12-10;;/h10,12H,2-9H2,1H3;2*1H
InChIKeyFOHBZMCUIUEOBY-UHFFFAOYSA-N
XLogP0.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119831585
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119838561
1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119112195
methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate
CID 93376360
cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 71888790
N,N-dimethyl-2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
CID 103813307
N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
CID 60717609
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336352
1-[4-[(2S)-pyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 55002826
2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119269718

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride?
The IUPAC name of (4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride (CID 119032238) is (4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride?
The canonical SMILES for (4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride is CCN1CCN(C(=O)C2CCCN2)CC1.Cl.Cl.
What is the InChIKey of (4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride?
The InChIKey is FOHBZMCUIUEOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.2ClH/c1-2-13-6-8-14(9-7-13)11(15)10-4-3-5-12-10;;/h10,12H,2-9H2,1H3;2*1H.
What are the key properties of (4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride?
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride has a molecular weight of 284.23 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 119032238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).