1-[4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone

C17H33N3O2 — CID 95343221

IUPAC1-[4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC[C@@H]1CN(CC2CCN(C(C)=O)CC2)CCN1CCOC
InChIInChI=1S/C17H33N3O2/c1-4-17-14-18(9-10-20(17)11-12-22-3)13-16-5-7-19(8-6-16)15(2)21/h16-17H,4-14H2,1-3H3/t17-/m1/s1
InChIKeyJTUFEKFVJMGWDF-QGZVFWFLSA-N
MW311.47 g/mol
LogP1.29
Rot. Bonds6

About 1-[4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone

1-[4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 95343221) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-[4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
PubChem CID95343221
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name1-[4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC[C@@H]1CN(CC2CCN(C(C)=O)CC2)CCN1CCOC
InChIInChI=1S/C17H33N3O2/c1-4-17-14-18(9-10-20(17)11-12-22-3)13-16-5-7-19(8-6-16)15(2)21/h16-17H,4-14H2,1-3H3/t17-/m1/s1
InChIKeyJTUFEKFVJMGWDF-QGZVFWFLSA-N
XLogP1.29
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone (CID 95343221) is 1-[4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone is CC[C@@H]1CN(CC2CCN(C(C)=O)CC2)CCN1CCOC.
What is the InChIKey of 1-[4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is JTUFEKFVJMGWDF-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-4-17-14-18(9-10-20(17)11-12-22-3)13-16-5-7-19(8-6-16)15(2)21/h16-17H,4-14H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone?
1-[4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 311.47 g/mol, XLogP of 1.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95343221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).