6-cyclopropyl-3,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione

C16H21N3O2 — CID 79264137

IUPAC6-cyclopropyl-3,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
SMILESCc1cccc(CN2C(=O)C(C)NC(=O)C2(C)C2CC2)n1
InChIInChI=1S/C16H21N3O2/c1-10-5-4-6-13(17-10)9-19-14(20)11(2)18-15(21)16(19,3)12-7-8-12/h4-6,11-12H,7-9H2,1-3H3,(H,18,21)
InChIKeyXODNFBWIOLBMGG-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.41
Rot. Bonds3

About 6-cyclopropyl-3,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione

6-cyclopropyl-3,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione (PubChem CID 79264137) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-cyclopropyl-3,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-3,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
PubChem CID79264137
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-cyclopropyl-3,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
SMILESCc1cccc(CN2C(=O)C(C)NC(=O)C2(C)C2CC2)n1
InChIInChI=1S/C16H21N3O2/c1-10-5-4-6-13(17-10)9-19-14(20)11(2)18-15(21)16(19,3)12-7-8-12/h4-6,11-12H,7-9H2,1-3H3,(H,18,21)
InChIKeyXODNFBWIOLBMGG-UHFFFAOYSA-N
XLogP1.41
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-3,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione (CID 79264137) is 6-cyclopropyl-3,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-3,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-3,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione is Cc1cccc(CN2C(=O)C(C)NC(=O)C2(C)C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-3,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
The InChIKey is XODNFBWIOLBMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-5-4-6-13(17-10)9-19-14(20)11(2)18-15(21)16(19,3)12-7-8-12/h4-6,11-12H,7-9H2,1-3H3,(H,18,21).
What are the key properties of 6-cyclopropyl-3,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione?
6-cyclopropyl-3,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione has a molecular weight of 287.36 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 79264137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).