6-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione

C15H19N3O3 — CID 64879551

IUPAC6-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCOc1cccc(CN2C(=O)CNC(=O)C2(C)C2CC2)n1
InChIInChI=1S/C15H19N3O3/c1-15(10-6-7-10)14(20)16-8-13(19)18(15)9-11-4-3-5-12(17-11)21-2/h3-5,10H,6-9H2,1-2H3,(H,16,20)
InChIKeyOMZRDJKFURTCFE-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.72
Rot. Bonds4

About 6-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione

6-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione (PubChem CID 64879551) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione
PubChem CID64879551
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name6-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione
SMILESCOc1cccc(CN2C(=O)CNC(=O)C2(C)C2CC2)n1
InChIInChI=1S/C15H19N3O3/c1-15(10-6-7-10)14(20)16-8-13(19)18(15)9-11-4-3-5-12(17-11)21-2/h3-5,10H,6-9H2,1-2H3,(H,16,20)
InChIKeyOMZRDJKFURTCFE-UHFFFAOYSA-N
XLogP0.72
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione (CID 64879551) is 6-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione is COc1cccc(CN2C(=O)CNC(=O)C2(C)C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione?
The InChIKey is OMZRDJKFURTCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-15(10-6-7-10)14(20)16-8-13(19)18(15)9-11-4-3-5-12(17-11)21-2/h3-5,10H,6-9H2,1-2H3,(H,16,20).
What are the key properties of 6-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione?
6-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione has a molecular weight of 289.33 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64879551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).