1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione

C12H20N2O3 — CID 113449235

IUPAC1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione
SMILESCN1CCN(CC(O)C2CCCC2)C(=O)C1=O
InChIInChI=1S/C12H20N2O3/c1-13-6-7-14(12(17)11(13)16)8-10(15)9-4-2-3-5-9/h9-10,15H,2-8H2,1H3
InChIKeyHICFFHZJZLUAER-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.16
Rot. Bonds3

About 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione

1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione (PubChem CID 113449235) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione
PubChem CID113449235
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione
SMILESCN1CCN(CC(O)C2CCCC2)C(=O)C1=O
InChIInChI=1S/C12H20N2O3/c1-13-6-7-14(12(17)11(13)16)8-10(15)9-4-2-3-5-9/h9-10,15H,2-8H2,1H3
InChIKeyHICFFHZJZLUAER-UHFFFAOYSA-N
XLogP-0.16
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopentylmethyl)-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperazin-2-one
CID 97881354
N-{[1-(hydroxymethyl)cyclopentyl]methyl}-N-methyl-2-piperidin-1-ylacetamide
CID 124213398
N-tert-butyl-2-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]acetamide
CID 136534703
1-(Cyclopentylmethyl)-4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-2-one
CID 86792576
1-(cyclopentylmethyl)-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]piperazin-2-one
CID 97881355
2-[(2-Hydroxycyclopentyl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 109397664
1-Ethyl-4-(2-hydroxy-3-methylpentyl)piperazin-2-one;3-methylpentan-2-ol
CID 156741773
1-[4-(2-hydroxyethyl)-3-[(3S)-1-hydroxy-3-methylhexyl]piperazin-1-yl]ethanone
CID 166687765
2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 52309287
2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 53598776
Cyclopentyl-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 53612615
2-[2-(1-Hydroxyethyl)piperidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 53618349

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione?
The IUPAC name of 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione (CID 113449235) is 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione?
The canonical SMILES for 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione is CN1CCN(CC(O)C2CCCC2)C(=O)C1=O.
What is the InChIKey of 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione?
The InChIKey is HICFFHZJZLUAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-13-6-7-14(12(17)11(13)16)8-10(15)9-4-2-3-5-9/h9-10,15H,2-8H2,1H3.
What are the key properties of 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione?
1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione has a molecular weight of 240.30 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpiperazine-2,3-dione is sourced from PubChem (CID 113449235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).