1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione

C21H22FN3O2 — CID 166103593

IUPAC1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione
SMILESO=C1C(=O)N(C2CCCC2)CCN1Cc1ncc(-c2ccccc2)cc1F
InChIInChI=1S/C21H22FN3O2/c22-18-12-16(15-6-2-1-3-7-15)13-23-19(18)14-24-10-11-25(21(27)20(24)26)17-8-4-5-9-17/h1-3,6-7,12-13,17H,4-5,8-11,14H2
InChIKeyWPGRJJVYTUVAGX-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.00
Rot. Bonds4

About 1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione

1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione (PubChem CID 166103593) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione
PubChem CID166103593
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione
SMILESO=C1C(=O)N(C2CCCC2)CCN1Cc1ncc(-c2ccccc2)cc1F
InChIInChI=1S/C21H22FN3O2/c22-18-12-16(15-6-2-1-3-7-15)13-23-19(18)14-24-10-11-25(21(27)20(24)26)17-8-4-5-9-17/h1-3,6-7,12-13,17H,4-5,8-11,14H2
InChIKeyWPGRJJVYTUVAGX-UHFFFAOYSA-N
XLogP3.00
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-4-[(1-oxido-6-phenylpyridin-1-ium-3-yl)methyl]piperazine-2,3-dione
CID 166103469
1-(oxolan-3-yl)-4-[(5-phenylpyrimidin-2-yl)methyl]piperazine-2,3-dione
CID 166103576
1-cyclobutyl-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,3-dione
CID 166103881
1-cyclopentyl-4-[[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,3-dione
CID 166103727
1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione
CID 166103271
1-cyclopentyl-4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]piperazine-2,3-dione
CID 166103430
1-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-4-[(5-phenylpyrazin-2-yl)methyl]piperazine-2,3-dione
CID 166103396
1-cyclobutyl-4-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,3-dione
CID 166103626
1-(3-phenylcyclobutyl)-4-[(6-phenyl-3-pyridinyl)methyl]piperazine-2,3-dione
CID 166103628
1-cyclopentyl-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione
CID 166103687
1-[1-(2-cyclohexylacetyl)piperidin-4-yl]-4-[(3-fluorophenyl)methyl]piperazine-2,3-dione
CID 53004232
1-cyclopentyl-4-[[6-(1,5-dihydrotriazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione
CID 166103798

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione?
The IUPAC name of 1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione (CID 166103593) is 1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione?
The canonical SMILES for 1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione is O=C1C(=O)N(C2CCCC2)CCN1Cc1ncc(-c2ccccc2)cc1F.
What is the InChIKey of 1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione?
The InChIKey is WPGRJJVYTUVAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-18-12-16(15-6-2-1-3-7-15)13-23-19(18)14-24-10-11-25(21(27)20(24)26)17-8-4-5-9-17/h1-3,6-7,12-13,17H,4-5,8-11,14H2.
What are the key properties of 1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione?
1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione has a molecular weight of 367.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione is sourced from PubChem (CID 166103593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).