3-cyclopropyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine-2,5-dione

C14H17N3O3 — CID 64970023

IUPAC3-cyclopropyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine-2,5-dione
SMILESCOc1cc(CN2CC(=O)NC(C3CC3)C2=O)ccn1
InChIInChI=1S/C14H17N3O3/c1-20-12-6-9(4-5-15-12)7-17-8-11(18)16-13(14(17)19)10-2-3-10/h4-6,10,13H,2-3,7-8H2,1H3,(H,16,18)
InChIKeyGCKAFRRDKSZSQU-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.33
Rot. Bonds4

About 3-cyclopropyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine-2,5-dione

3-cyclopropyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine-2,5-dione (PubChem CID 64970023) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine-2,5-dione
PubChem CID64970023
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-cyclopropyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine-2,5-dione
SMILESCOc1cc(CN2CC(=O)NC(C3CC3)C2=O)ccn1
InChIInChI=1S/C14H17N3O3/c1-20-12-6-9(4-5-15-12)7-17-8-11(18)16-13(14(17)19)10-2-3-10/h4-6,10,13H,2-3,7-8H2,1H3,(H,16,18)
InChIKeyGCKAFRRDKSZSQU-UHFFFAOYSA-N
XLogP0.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine-2,5-dione (CID 64970023) is 3-cyclopropyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine-2,5-dione is COc1cc(CN2CC(=O)NC(C3CC3)C2=O)ccn1.
What is the InChIKey of 3-cyclopropyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine-2,5-dione?
The InChIKey is GCKAFRRDKSZSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-20-12-6-9(4-5-15-12)7-17-8-11(18)16-13(14(17)19)10-2-3-10/h4-6,10,13H,2-3,7-8H2,1H3,(H,16,18).
What are the key properties of 3-cyclopropyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine-2,5-dione?
3-cyclopropyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine-2,5-dione has a molecular weight of 275.31 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64970023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).