2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate

C15H29N3O2 — CID 58135927

IUPAC2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate
SMILESCN(C)CCOC(=O)C1CCN(C2CCN(C)CC2)C1
InChIInChI=1S/C15H29N3O2/c1-16(2)10-11-20-15(19)13-4-9-18(12-13)14-5-7-17(3)8-6-14/h13-14H,4-12H2,1-3H3
InChIKeyLXURSGUDOCYAGN-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.51
Rot. Bonds5

About 2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate

2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate (PubChem CID 58135927) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate
PubChem CID58135927
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate
SMILESCN(C)CCOC(=O)C1CCN(C2CCN(C)CC2)C1
InChIInChI=1S/C15H29N3O2/c1-16(2)10-11-20-15(19)13-4-9-18(12-13)14-5-7-17(3)8-6-14/h13-14H,4-12H2,1-3H3
InChIKeyLXURSGUDOCYAGN-UHFFFAOYSA-N
XLogP0.51
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate (CID 58135927) is 2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate is CN(C)CCOC(=O)C1CCN(C2CCN(C)CC2)C1.
What is the InChIKey of 2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate?
The InChIKey is LXURSGUDOCYAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-16(2)10-11-20-15(19)13-4-9-18(12-13)14-5-7-17(3)8-6-14/h13-14H,4-12H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate?
2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate has a molecular weight of 283.42 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 58135927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).