1-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione

C14H19N3O2 — CID 82745136

IUPAC1-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione
SMILESCCc1cccnc1CN1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H19N3O2/c1-4-10-6-5-7-15-11(10)8-17-9-12(18)16-14(2,3)13(17)19/h5-7H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyFELAFHCLLPNBHZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.88
Rot. Bonds3

About 1-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione

1-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione (PubChem CID 82745136) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione
PubChem CID82745136
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione
SMILESCCc1cccnc1CN1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H19N3O2/c1-4-10-6-5-7-15-11(10)8-17-9-12(18)16-14(2,3)13(17)19/h5-7H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyFELAFHCLLPNBHZ-UHFFFAOYSA-N
XLogP0.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione (CID 82745136) is 1-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione is CCc1cccnc1CN1CC(=O)NC(C)(C)C1=O.
What is the InChIKey of 1-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is FELAFHCLLPNBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-10-6-5-7-15-11(10)8-17-9-12(18)16-14(2,3)13(17)19/h5-7H,4,8-9H2,1-3H3,(H,16,18).
What are the key properties of 1-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione?
1-[(3-ethyl-2-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 0.88, 3 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]-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 82745136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).