(2,4-dimethylpiperazin-1-yl)-[4-(ethylamino)oxolan-3-yl]methanone

C13H25N3O2 — CID 114085748

IUPAC(2,4-dimethylpiperazin-1-yl)-[4-(ethylamino)oxolan-3-yl]methanone
SMILESCCNC1COCC1C(=O)N1CCN(C)CC1C
InChIInChI=1S/C13H25N3O2/c1-4-14-12-9-18-8-11(12)13(17)16-6-5-15(3)7-10(16)2/h10-12,14H,4-9H2,1-3H3
InChIKeyANCGHGCBNLOEBK-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.23
Rot. Bonds3

About (2,4-dimethylpiperazin-1-yl)-[4-(ethylamino)oxolan-3-yl]methanone

(2,4-dimethylpiperazin-1-yl)-[4-(ethylamino)oxolan-3-yl]methanone (PubChem CID 114085748) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-[4-(ethylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-[4-(ethylamino)oxolan-3-yl]methanone
PubChem CID114085748
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(2,4-dimethylpiperazin-1-yl)-[4-(ethylamino)oxolan-3-yl]methanone
SMILESCCNC1COCC1C(=O)N1CCN(C)CC1C
InChIInChI=1S/C13H25N3O2/c1-4-14-12-9-18-8-11(12)13(17)16-6-5-15(3)7-10(16)2/h10-12,14H,4-9H2,1-3H3
InChIKeyANCGHGCBNLOEBK-UHFFFAOYSA-N
XLogP-0.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,4-dimethylpiperazin-1-yl)-[4-(ethylamino)oxolan-3-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 (2,4-dimethylpiperazin-1-yl)-[4-(ethylamino)oxolan-3-yl]methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-[4-(ethylamino)oxolan-3-yl]methanone (CID 114085748) is (2,4-dimethylpiperazin-1-yl)-[4-(ethylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-[4-(ethylamino)oxolan-3-yl]methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-[4-(ethylamino)oxolan-3-yl]methanone is CCNC1COCC1C(=O)N1CCN(C)CC1C.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-[4-(ethylamino)oxolan-3-yl]methanone?
The InChIKey is ANCGHGCBNLOEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-14-12-9-18-8-11(12)13(17)16-6-5-15(3)7-10(16)2/h10-12,14H,4-9H2,1-3H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-[4-(ethylamino)oxolan-3-yl]methanone?
(2,4-dimethylpiperazin-1-yl)-[4-(ethylamino)oxolan-3-yl]methanone has a molecular weight of 255.36 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-[4-(ethylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 114085748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).