[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride

C15H31Cl2N3O3 — CID 119880307

IUPAC[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
SMILESCOCCN1CCN(C(=O)C2(OC)CCNCC2)CC1C.Cl.Cl
InChIInChI=1S/C15H29N3O3.2ClH/c1-13-12-18(9-8-17(13)10-11-20-2)14(19)15(21-3)4-6-16-7-5-15;;/h13,16H,4-12H2,1-3H3;2*1H
InChIKeyNBKXWZUASRVFLH-UHFFFAOYSA-N
MW372.34 g/mol
LogP0.78
Rot. Bonds5

About [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride

[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride (PubChem CID 119880307) has the molecular formula C15H31Cl2N3O3 and a molecular weight of 372.34 g/mol. Its IUPAC name is [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
PubChem CID119880307
Molecular FormulaC15H31Cl2N3O3
Molecular Weight372.34 g/mol
Exact Mass371.17
IUPAC Name[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
SMILESCOCCN1CCN(C(=O)C2(OC)CCNCC2)CC1C.Cl.Cl
InChIInChI=1S/C15H29N3O3.2ClH/c1-13-12-18(9-8-17(13)10-11-20-2)14(19)15(21-3)4-6-16-7-5-15;;/h13,16H,4-12H2,1-3H3;2*1H
InChIKeyNBKXWZUASRVFLH-UHFFFAOYSA-N
XLogP0.78
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The IUPAC name of [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride (CID 119880307) is [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride is COCCN1CCN(C(=O)C2(OC)CCNCC2)CC1C.Cl.Cl.
What is the InChIKey of [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The InChIKey is NBKXWZUASRVFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3.2ClH/c1-13-12-18(9-8-17(13)10-11-20-2)14(19)15(21-3)4-6-16-7-5-15;;/h13,16H,4-12H2,1-3H3;2*1H.
What are the key properties of [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride has a molecular weight of 372.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119880307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).