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

C16H29N3O3 — CID 58135875

IUPAC[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate
SMILESCN1CCC(N2CCC(C(=O)OCC(=O)N(C)C)CC2)CC1
InChIInChI=1S/C16H29N3O3/c1-17(2)15(20)12-22-16(21)13-4-10-19(11-5-13)14-6-8-18(3)9-7-14/h13-14H,4-12H2,1-3H3
InChIKeyGSEJYLLLBJQTNN-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.42
Rot. Bonds4

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

[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate (PubChem CID 58135875) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate
PubChem CID58135875
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate
SMILESCN1CCC(N2CCC(C(=O)OCC(=O)N(C)C)CC2)CC1
InChIInChI=1S/C16H29N3O3/c1-17(2)15(20)12-22-16(21)13-4-10-19(11-5-13)14-6-8-18(3)9-7-14/h13-14H,4-12H2,1-3H3
InChIKeyGSEJYLLLBJQTNN-UHFFFAOYSA-N
XLogP0.42
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.42
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] 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate (CID 58135875) is [2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate is CN1CCC(N2CCC(C(=O)OCC(=O)N(C)C)CC2)CC1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate?
The InChIKey is GSEJYLLLBJQTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-17(2)15(20)12-22-16(21)13-4-10-19(11-5-13)14-6-8-18(3)9-7-14/h13-14H,4-12H2,1-3H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate?
[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate has a molecular weight of 311.43 g/mol, XLogP of 0.42, 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] 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 58135875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).