[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate

C16H30N4O3 — CID 58135913

IUPAC[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate
SMILESCN1CCC(N2CCN(C)CC2C(=O)OCC(=O)N(C)C)CC1
InChIInChI=1S/C16H30N4O3/c1-17(2)15(21)12-23-16(22)14-11-19(4)9-10-20(14)13-5-7-18(3)8-6-13/h13-14H,5-12H2,1-4H3
InChIKeyGKFUWIRORONBKT-UHFFFAOYSA-N
MW326.44 g/mol
LogP-0.67
Rot. Bonds4

About [2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate

[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate (PubChem CID 58135913) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate
PubChem CID58135913
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate
SMILESCN1CCC(N2CCN(C)CC2C(=O)OCC(=O)N(C)C)CC1
InChIInChI=1S/C16H30N4O3/c1-17(2)15(21)12-23-16(22)14-11-19(4)9-10-20(14)13-5-7-18(3)8-6-13/h13-14H,5-12H2,1-4H3
InChIKeyGKFUWIRORONBKT-UHFFFAOYSA-N
XLogP-0.67
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 5-0.67
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] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate (CID 58135913) is [2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate is CN1CCC(N2CCN(C)CC2C(=O)OCC(=O)N(C)C)CC1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate?
The InChIKey is GKFUWIRORONBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-17(2)15(21)12-23-16(22)14-11-19(4)9-10-20(14)13-5-7-18(3)8-6-13/h13-14H,5-12H2,1-4H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate?
[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate has a molecular weight of 326.44 g/mol, XLogP of -0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate is sourced from PubChem (CID 58135913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).