[4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride

C12H25Cl2N3O3 — CID 119838568

IUPAC[4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
SMILESCOCCN1CCN(C(=O)C2CNCCO2)CC1.Cl.Cl
InChIInChI=1S/C12H23N3O3.2ClH/c1-17-9-7-14-3-5-15(6-4-14)12(16)11-10-13-2-8-18-11;;/h11,13H,2-10H2,1H3;2*1H
InChIKeyZQPMLOJCKYVUOT-UHFFFAOYSA-N
MW330.26 g/mol
LogP-0.39
Rot. Bonds4

About [4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride

[4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride (PubChem CID 119838568) has the molecular formula C12H25Cl2N3O3 and a molecular weight of 330.26 g/mol. Its IUPAC name is [4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
PubChem CID119838568
Molecular FormulaC12H25Cl2N3O3
Molecular Weight330.26 g/mol
Exact Mass329.13
IUPAC Name[4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
SMILESCOCCN1CCN(C(=O)C2CNCCO2)CC1.Cl.Cl
InChIInChI=1S/C12H23N3O3.2ClH/c1-17-9-7-14-3-5-15(6-4-14)12(16)11-10-13-2-8-18-11;;/h11,13H,2-10H2,1H3;2*1H
InChIKeyZQPMLOJCKYVUOT-UHFFFAOYSA-N
XLogP-0.39
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone
CID 131911390
[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-morpholin-2-ylmethanone
CID 70260999
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615
2-[4-(morpholine-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride
CID 119837297
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119877152
2-[4-(morpholine-2-carbonyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 119834280
morpholin-2-yl-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119897545
(4,4-diethylpiperidin-1-yl)-morpholin-2-ylmethanone
CID 55160831
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119765866
[4-(2-methoxyethyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119838561
1-(2-methylpiperidin-1-yl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]ethanone
CID 119851432
[4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 99941257

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride (CID 119838568) is [4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The canonical SMILES for [4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride is COCCN1CCN(C(=O)C2CNCCO2)CC1.Cl.Cl.
What is the InChIKey of [4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The InChIKey is ZQPMLOJCKYVUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3.2ClH/c1-17-9-7-14-3-5-15(6-4-14)12(16)11-10-13-2-8-18-11;;/h11,13H,2-10H2,1H3;2*1H.
What are the key properties of [4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
[4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride has a molecular weight of 330.26 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 119838568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).