(6S)-6-(cyclohexylmethyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione

C19H25FN2O2 — CID 23641166

IUPAC(6S)-6-(cyclohexylmethyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione
SMILESO=C1NC[C@H](CC2CCCCC2)N(CCc2cccc(F)c2)C1=O
InChIInChI=1S/C19H25FN2O2/c20-16-8-4-7-15(11-16)9-10-22-17(13-21-18(23)19(22)24)12-14-5-2-1-3-6-14/h4,7-8,11,14,17H,1-3,5-6,9-10,12-13H2,(H,21,23)/t17-/m0/s1
InChIKeyFAVJHZOHIQMBAE-KRWDZBQOSA-N
MW332.42 g/mol
LogP2.67
Rot. Bonds5

About (6S)-6-(cyclohexylmethyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione

(6S)-6-(cyclohexylmethyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione (PubChem CID 23641166) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is (6S)-6-(cyclohexylmethyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione.

Molecular Properties

Compound Name(6S)-6-(cyclohexylmethyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione
PubChem CID23641166
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name(6S)-6-(cyclohexylmethyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione
SMILESO=C1NC[C@H](CC2CCCCC2)N(CCc2cccc(F)c2)C1=O
InChIInChI=1S/C19H25FN2O2/c20-16-8-4-7-15(11-16)9-10-22-17(13-21-18(23)19(22)24)12-14-5-2-1-3-6-14/h4,7-8,11,14,17H,1-3,5-6,9-10,12-13H2,(H,21,23)/t17-/m0/s1
InChIKeyFAVJHZOHIQMBAE-KRWDZBQOSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (6S)-6-(cyclohexylmethyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione?
The IUPAC name of (6S)-6-(cyclohexylmethyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione (CID 23641166) is (6S)-6-(cyclohexylmethyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione.
What is the SMILES notation for (6S)-6-(cyclohexylmethyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione?
The canonical SMILES for (6S)-6-(cyclohexylmethyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione is O=C1NC[C@H](CC2CCCCC2)N(CCc2cccc(F)c2)C1=O.
What is the InChIKey of (6S)-6-(cyclohexylmethyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione?
The InChIKey is FAVJHZOHIQMBAE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25FN2O2/c20-16-8-4-7-15(11-16)9-10-22-17(13-21-18(23)19(22)24)12-14-5-2-1-3-6-14/h4,7-8,11,14,17H,1-3,5-6,9-10,12-13H2,(H,21,23)/t17-/m0/s1.
What are the key properties of (6S)-6-(cyclohexylmethyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione?
(6S)-6-(cyclohexylmethyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione has a molecular weight of 332.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(cyclohexylmethyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione is sourced from PubChem (CID 23641166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).