6-[(tert-butylamino)methyl]-3-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylpiperazin-2-one

C17H35N3O2 — CID 134907530

IUPAC6-[(tert-butylamino)methyl]-3-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylpiperazin-2-one
SMILESCCC1(C)C(=O)NC(C)(CNC(C)(C)C)CN1C(C)(C)CO
InChIInChI=1S/C17H35N3O2/c1-9-17(8)13(22)19-16(7,10-18-14(2,3)4)11-20(17)15(5,6)12-21/h18,21H,9-12H2,1-8H3,(H,19,22)
InChIKeyZYNNMTXCDXXHNO-UHFFFAOYSA-N
MW313.49 g/mol
LogP1.50
Rot. Bonds5

About 6-[(tert-butylamino)methyl]-3-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylpiperazin-2-one

6-[(tert-butylamino)methyl]-3-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylpiperazin-2-one (PubChem CID 134907530) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is 6-[(tert-butylamino)methyl]-3-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylpiperazin-2-one.

Molecular Properties

Compound Name6-[(tert-butylamino)methyl]-3-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylpiperazin-2-one
PubChem CID134907530
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Name6-[(tert-butylamino)methyl]-3-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylpiperazin-2-one
SMILESCCC1(C)C(=O)NC(C)(CNC(C)(C)C)CN1C(C)(C)CO
InChIInChI=1S/C17H35N3O2/c1-9-17(8)13(22)19-16(7,10-18-14(2,3)4)11-20(17)15(5,6)12-21/h18,21H,9-12H2,1-8H3,(H,19,22)
InChIKeyZYNNMTXCDXXHNO-UHFFFAOYSA-N
XLogP1.50
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[(tert-butylamino)methyl]-3-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylpiperazin-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 6-[(tert-butylamino)methyl]-3-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylpiperazin-2-one?
The IUPAC name of 6-[(tert-butylamino)methyl]-3-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylpiperazin-2-one (CID 134907530) is 6-[(tert-butylamino)methyl]-3-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylpiperazin-2-one.
What is the SMILES notation for 6-[(tert-butylamino)methyl]-3-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylpiperazin-2-one?
The canonical SMILES for 6-[(tert-butylamino)methyl]-3-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylpiperazin-2-one is CCC1(C)C(=O)NC(C)(CNC(C)(C)C)CN1C(C)(C)CO.
What is the InChIKey of 6-[(tert-butylamino)methyl]-3-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylpiperazin-2-one?
The InChIKey is ZYNNMTXCDXXHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-9-17(8)13(22)19-16(7,10-18-14(2,3)4)11-20(17)15(5,6)12-21/h18,21H,9-12H2,1-8H3,(H,19,22).
What are the key properties of 6-[(tert-butylamino)methyl]-3-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylpiperazin-2-one?
6-[(tert-butylamino)methyl]-3-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylpiperazin-2-one has a molecular weight of 313.49 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(tert-butylamino)methyl]-3-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)-3,6-dimethylpiperazin-2-one is sourced from PubChem (CID 134907530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).