2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride

C13H27Cl2N3O2 — CID 119838548

IUPAC2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCOCCN1CCN(C(=O)CNCC2CC2)CC1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-18-9-8-15-4-6-16(7-5-15)13(17)11-14-10-12-2-3-12;;/h12,14H,2-11H2,1H3;2*1H
InChIKeyAGSYQPUXIWKUIF-UHFFFAOYSA-N
MW328.28 g/mol
LogP0.62
Rot. Bonds7

About 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride

2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 119838548) has the molecular formula C13H27Cl2N3O2 and a molecular weight of 328.28 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
PubChem CID119838548
Molecular FormulaC13H27Cl2N3O2
Molecular Weight328.28 g/mol
Exact Mass327.15
IUPAC Name2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCOCCN1CCN(C(=O)CNCC2CC2)CC1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-18-9-8-15-4-6-16(7-5-15)13(17)11-14-10-12-2-3-12;;/h12,14H,2-11H2,1H3;2*1H
InChIKeyAGSYQPUXIWKUIF-UHFFFAOYSA-N
XLogP0.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethanone
CID 54874370
2-(cyclopropylmethylamino)-1-[4-(2-ethoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119843330
3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid
CID 61161794
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355
2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride
CID 119697100
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119838552
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
CID 119833895
2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119838013
1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 59468982
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
2-(cyclopropylmethylamino)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 119833979
2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119836717

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride (CID 119838548) is 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride is COCCN1CCN(C(=O)CNCC2CC2)CC1.Cl.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is AGSYQPUXIWKUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.2ClH/c1-18-9-8-15-4-6-16(7-5-15)13(17)11-14-10-12-2-3-12;;/h12,14H,2-11H2,1H3;2*1H.
What are the key properties of 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride?
2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 328.28 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119838548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).