[2-(dimethylamino)-2-oxoethyl] 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate

C17H32N4O3 — CID 58135823

IUPAC[2-(dimethylamino)-2-oxoethyl] 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate
SMILESCN1CCC(C)(N2CCN(CC(=O)OCC(=O)N(C)C)CC2)CC1
InChIInChI=1S/C17H32N4O3/c1-17(5-7-19(4)8-6-17)21-11-9-20(10-12-21)13-16(23)24-14-15(22)18(2)3/h5-14H2,1-4H3
InChIKeyAYENHKQIRLUYRE-UHFFFAOYSA-N
MW340.47 g/mol
LogP-0.28
Rot. Bonds5

About [2-(dimethylamino)-2-oxoethyl] 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate

[2-(dimethylamino)-2-oxoethyl] 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate (PubChem CID 58135823) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate
PubChem CID58135823
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate
SMILESCN1CCC(C)(N2CCN(CC(=O)OCC(=O)N(C)C)CC2)CC1
InChIInChI=1S/C17H32N4O3/c1-17(5-7-19(4)8-6-17)21-11-9-20(10-12-21)13-16(23)24-14-15(22)18(2)3/h5-14H2,1-4H3
InChIKeyAYENHKQIRLUYRE-UHFFFAOYSA-N
XLogP-0.28
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate (CID 58135823) is [2-(dimethylamino)-2-oxoethyl] 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate is CN1CCC(C)(N2CCN(CC(=O)OCC(=O)N(C)C)CC2)CC1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate?
The InChIKey is AYENHKQIRLUYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-17(5-7-19(4)8-6-17)21-11-9-20(10-12-21)13-16(23)24-14-15(22)18(2)3/h5-14H2,1-4H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate?
[2-(dimethylamino)-2-oxoethyl] 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate has a molecular weight of 340.47 g/mol, XLogP of -0.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 2-[4-(1,4-dimethylpiperidin-4-yl)piperazin-1-yl]acetate is sourced from PubChem (CID 58135823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).