1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;1-[4-[4-(methylamino)piperidin-1-yl]piperidin-1-yl]ethanone

C22H43N5O3 — CID 142858447

IUPAC1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;1-[4-[4-(methylamino)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCNC1CCN(C2CCN(C(C)=O)CC2)CC1.COCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C13H25N3O.C9H18N2O2/c1-11(17)15-9-5-13(6-10-15)16-7-3-12(14-2)4-8-16;1-9(12)11-5-3-10(4-6-11)7-8-13-2/h12-14H,3-10H2,1-2H3;3-8H2,1-2H3
InChIKeyWLCXXNQSZOFLPD-UHFFFAOYSA-N
MW425.62 g/mol
LogP0.48
Rot. Bonds5

About 1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;1-[4-[4-(methylamino)piperidin-1-yl]piperidin-1-yl]ethanone

1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;1-[4-[4-(methylamino)piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 142858447) has the molecular formula C22H43N5O3 and a molecular weight of 425.62 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;1-[4-[4-(methylamino)piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;1-[4-[4-(methylamino)piperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID142858447
Molecular FormulaC22H43N5O3
Molecular Weight425.62 g/mol
Exact Mass425.34
IUPAC Name1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;1-[4-[4-(methylamino)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCNC1CCN(C2CCN(C(C)=O)CC2)CC1.COCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C13H25N3O.C9H18N2O2/c1-11(17)15-9-5-13(6-10-15)16-7-3-12(14-2)4-8-16;1-9(12)11-5-3-10(4-6-11)7-8-13-2/h12-14H,3-10H2,1-2H3;3-8H2,1-2H3
InChIKeyWLCXXNQSZOFLPD-UHFFFAOYSA-N
XLogP0.48
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.62
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;1-[4-[4-(methylamino)piperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;1-[4-[4-(methylamino)piperidin-1-yl]piperidin-1-yl]ethanone (CID 142858447) is 1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;1-[4-[4-(methylamino)piperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;1-[4-[4-(methylamino)piperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;1-[4-[4-(methylamino)piperidin-1-yl]piperidin-1-yl]ethanone is CNC1CCN(C2CCN(C(C)=O)CC2)CC1.COCCN1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;1-[4-[4-(methylamino)piperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is WLCXXNQSZOFLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.C9H18N2O2/c1-11(17)15-9-5-13(6-10-15)16-7-3-12(14-2)4-8-16;1-9(12)11-5-3-10(4-6-11)7-8-13-2/h12-14H,3-10H2,1-2H3;3-8H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;1-[4-[4-(methylamino)piperidin-1-yl]piperidin-1-yl]ethanone?
1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;1-[4-[4-(methylamino)piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 425.62 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;1-[4-[4-(methylamino)piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 142858447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).