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

C17H31N3O3 — CID 58135999

IUPAC[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate
SMILESCN1CCC(N2CCC(C)(C(=O)OCC(=O)N(C)C)CC2)CC1
InChIInChI=1S/C17H31N3O3/c1-17(16(22)23-13-15(21)18(2)3)7-11-20(12-8-17)14-5-9-19(4)10-6-14/h14H,5-13H2,1-4H3
InChIKeyODABMAUIUNQGOZ-UHFFFAOYSA-N
MW325.45 g/mol
LogP0.81
Rot. Bonds4

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

[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate (PubChem CID 58135999) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate
PubChem CID58135999
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate
SMILESCN1CCC(N2CCC(C)(C(=O)OCC(=O)N(C)C)CC2)CC1
InChIInChI=1S/C17H31N3O3/c1-17(16(22)23-13-15(21)18(2)3)7-11-20(12-8-17)14-5-9-19(4)10-6-14/h14H,5-13H2,1-4H3
InChIKeyODABMAUIUNQGOZ-UHFFFAOYSA-N
XLogP0.81
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate (CID 58135999) is [2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate is CN1CCC(N2CCC(C)(C(=O)OCC(=O)N(C)C)CC2)CC1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate?
The InChIKey is ODABMAUIUNQGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-17(16(22)23-13-15(21)18(2)3)7-11-20(12-8-17)14-5-9-19(4)10-6-14/h14H,5-13H2,1-4H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate?
[2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate has a molecular weight of 325.45 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 4-methyl-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 58135999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).