4-(2,2-dimethylpropyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one

C17H31N3O2 — CID 45184982

IUPAC4-(2,2-dimethylpropyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one
SMILESCC1CCN(C(=O)CC2C(=O)NCCN2CC(C)(C)C)CC1
InChIInChI=1S/C17H31N3O2/c1-13-5-8-19(9-6-13)15(21)11-14-16(22)18-7-10-20(14)12-17(2,3)4/h13-14H,5-12H2,1-4H3,(H,18,22)
InChIKeyKBCLYGVTFAHNST-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.48
Rot. Bonds3

About 4-(2,2-dimethylpropyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one

4-(2,2-dimethylpropyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one (PubChem CID 45184982) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one
PubChem CID45184982
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name4-(2,2-dimethylpropyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one
SMILESCC1CCN(C(=O)CC2C(=O)NCCN2CC(C)(C)C)CC1
InChIInChI=1S/C17H31N3O2/c1-13-5-8-19(9-6-13)15(21)11-14-16(22)18-7-10-20(14)12-17(2,3)4/h13-14H,5-12H2,1-4H3,(H,18,22)
InChIKeyKBCLYGVTFAHNST-UHFFFAOYSA-N
XLogP1.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,2-dimethylpropyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one 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-(2,2-dimethylpropyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of 4-(2,2-dimethylpropyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one (CID 45184982) is 4-(2,2-dimethylpropyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 4-(2,2-dimethylpropyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one is CC1CCN(C(=O)CC2C(=O)NCCN2CC(C)(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one?
The InChIKey is KBCLYGVTFAHNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-13-5-8-19(9-6-13)15(21)11-14-16(22)18-7-10-20(14)12-17(2,3)4/h13-14H,5-12H2,1-4H3,(H,18,22).
What are the key properties of 4-(2,2-dimethylpropyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one?
4-(2,2-dimethylpropyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one has a molecular weight of 309.45 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 45184982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).