1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione

C16H23N3O2 — CID 82748766

IUPAC1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCc1cccnc1CN1C(=O)C(C)NC(=O)C1C(C)C
InChIInChI=1S/C16H23N3O2/c1-5-12-7-6-8-17-13(12)9-19-14(10(2)3)15(20)18-11(4)16(19)21/h6-8,10-11,14H,5,9H2,1-4H3,(H,18,20)
InChIKeyWUABXZFMWSPGGS-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.52
Rot. Bonds4

About 1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione

1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 82748766) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID82748766
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCc1cccnc1CN1C(=O)C(C)NC(=O)C1C(C)C
InChIInChI=1S/C16H23N3O2/c1-5-12-7-6-8-17-13(12)9-19-14(10(2)3)15(20)18-11(4)16(19)21/h6-8,10-11,14H,5,9H2,1-4H3,(H,18,20)
InChIKeyWUABXZFMWSPGGS-UHFFFAOYSA-N
XLogP1.52
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione 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 1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione (CID 82748766) is 1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione is CCc1cccnc1CN1C(=O)C(C)NC(=O)C1C(C)C.
What is the InChIKey of 1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is WUABXZFMWSPGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-12-7-6-8-17-13(12)9-19-14(10(2)3)15(20)18-11(4)16(19)21/h6-8,10-11,14H,5,9H2,1-4H3,(H,18,20).
What are the key properties of 1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 289.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-2-pyridinyl)methyl]-3-methyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 82748766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).