1-[[1-(2-cyclopentylethyl)piperidin-4-yl]methyl]piperazine-2,3-dione

C17H29N3O2 — CID 45281023

IUPAC1-[[1-(2-cyclopentylethyl)piperidin-4-yl]methyl]piperazine-2,3-dione
SMILESO=C1NCCN(CC2CCN(CCC3CCCC3)CC2)C1=O
InChIInChI=1S/C17H29N3O2/c21-16-17(22)20(12-8-18-16)13-15-6-10-19(11-7-15)9-5-14-3-1-2-4-14/h14-15H,1-13H2,(H,18,21)
InChIKeyOPMONQJYAQVVGJ-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.24
Rot. Bonds5

About 1-[[1-(2-cyclopentylethyl)piperidin-4-yl]methyl]piperazine-2,3-dione

1-[[1-(2-cyclopentylethyl)piperidin-4-yl]methyl]piperazine-2,3-dione (PubChem CID 45281023) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[[1-(2-cyclopentylethyl)piperidin-4-yl]methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-[[1-(2-cyclopentylethyl)piperidin-4-yl]methyl]piperazine-2,3-dione
PubChem CID45281023
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-[[1-(2-cyclopentylethyl)piperidin-4-yl]methyl]piperazine-2,3-dione
SMILESO=C1NCCN(CC2CCN(CCC3CCCC3)CC2)C1=O
InChIInChI=1S/C17H29N3O2/c21-16-17(22)20(12-8-18-16)13-15-6-10-19(11-7-15)9-5-14-3-1-2-4-14/h14-15H,1-13H2,(H,18,21)
InChIKeyOPMONQJYAQVVGJ-UHFFFAOYSA-N
XLogP1.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-cyclopentylethyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
The IUPAC name of 1-[[1-(2-cyclopentylethyl)piperidin-4-yl]methyl]piperazine-2,3-dione (CID 45281023) is 1-[[1-(2-cyclopentylethyl)piperidin-4-yl]methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-[[1-(2-cyclopentylethyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
The canonical SMILES for 1-[[1-(2-cyclopentylethyl)piperidin-4-yl]methyl]piperazine-2,3-dione is O=C1NCCN(CC2CCN(CCC3CCCC3)CC2)C1=O.
What is the InChIKey of 1-[[1-(2-cyclopentylethyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
The InChIKey is OPMONQJYAQVVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c21-16-17(22)20(12-8-18-16)13-15-6-10-19(11-7-15)9-5-14-3-1-2-4-14/h14-15H,1-13H2,(H,18,21).
What are the key properties of 1-[[1-(2-cyclopentylethyl)piperidin-4-yl]methyl]piperazine-2,3-dione?
1-[[1-(2-cyclopentylethyl)piperidin-4-yl]methyl]piperazine-2,3-dione has a molecular weight of 307.44 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-cyclopentylethyl)piperidin-4-yl]methyl]piperazine-2,3-dione is sourced from PubChem (CID 45281023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).