(4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone

C12H23N3O — CID 104901147

IUPAC(4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
SMILESCCN1CCN(C(=O)[C@H]2CCCN2)CC1C
InChIInChI=1S/C12H23N3O/c1-3-14-7-8-15(9-10(14)2)12(16)11-5-4-6-13-11/h10-11,13H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyWJORPIUXFCJXBL-RRKGBCIJSA-N
MW225.34 g/mol
LogP0.29
Rot. Bonds2

About (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone

(4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 104901147) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID104901147
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
SMILESCCN1CCN(C(=O)[C@H]2CCCN2)CC1C
InChIInChI=1S/C12H23N3O/c1-3-14-7-8-15(9-10(14)2)12(16)11-5-4-6-13-11/h10-11,13H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyWJORPIUXFCJXBL-RRKGBCIJSA-N
XLogP0.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone 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 (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone (CID 104901147) is (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone is CCN1CCN(C(=O)[C@H]2CCCN2)CC1C.
What is the InChIKey of (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is WJORPIUXFCJXBL-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-14-7-8-15(9-10(14)2)12(16)11-5-4-6-13-11/h10-11,13H,3-9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
(4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 225.34 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3-methylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 104901147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).