2-[1-(2-methoxyethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

C15H29N3O2 — CID 56804672

IUPAC2-[1-(2-methoxyethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOCCN1CCC(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H29N3O2/c1-16-7-9-18(10-8-16)15(19)13-14-3-5-17(6-4-14)11-12-20-2/h14H,3-13H2,1-2H3
InChIKeyUXAMHGPJFSZRQO-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.51
Rot. Bonds5

About 2-[1-(2-methoxyethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[1-(2-methoxyethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 56804672) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID56804672
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-[1-(2-methoxyethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOCCN1CCC(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H29N3O2/c1-16-7-9-18(10-8-16)15(19)13-14-3-5-17(6-4-14)11-12-20-2/h14H,3-13H2,1-2H3
InChIKeyUXAMHGPJFSZRQO-UHFFFAOYSA-N
XLogP0.51
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1-(2-methoxyethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 56804672) is 2-[1-(2-methoxyethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(2-methoxyethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1-(2-methoxyethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone is COCCN1CCC(CC(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 2-[1-(2-methoxyethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is UXAMHGPJFSZRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-16-7-9-18(10-8-16)15(19)13-14-3-5-17(6-4-14)11-12-20-2/h14H,3-13H2,1-2H3.
What are the key properties of 2-[1-(2-methoxyethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[1-(2-methoxyethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 283.42 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 56804672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).