(3R)-3-(1-fluoroethyl)-6-methylidenepiperazine-2,5-dione

C7H9FN2O2 — CID 118189455

IUPAC(3R)-3-(1-fluoroethyl)-6-methylidenepiperazine-2,5-dione
SMILESC=C1NC(=O)[C@H](C(C)F)NC1=O
InChIInChI=1S/C7H9FN2O2/c1-3(8)5-7(12)9-4(2)6(11)10-5/h3,5H,2H2,1H3,(H,9,12)(H,10,11)/t3?,5-/m0/s1
InChIKeyPIJPZJUZUWADCI-PVPKANODSA-N
MW172.16 g/mol
LogP-0.53
Rot. Bonds1

About (3R)-3-(1-fluoroethyl)-6-methylidenepiperazine-2,5-dione

(3R)-3-(1-fluoroethyl)-6-methylidenepiperazine-2,5-dione (PubChem CID 118189455) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is (3R)-3-(1-fluoroethyl)-6-methylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(1-fluoroethyl)-6-methylidenepiperazine-2,5-dione
PubChem CID118189455
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name(3R)-3-(1-fluoroethyl)-6-methylidenepiperazine-2,5-dione
SMILESC=C1NC(=O)[C@H](C(C)F)NC1=O
InChIInChI=1S/C7H9FN2O2/c1-3(8)5-7(12)9-4(2)6(11)10-5/h3,5H,2H2,1H3,(H,9,12)(H,10,11)/t3?,5-/m0/s1
InChIKeyPIJPZJUZUWADCI-PVPKANODSA-N
XLogP-0.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3R)-3-(1-fluoroethyl)-6-methylidenepiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclo(deltaAla-L-Val)
CID 443439
Brevibactin B
CID 124514475
(3Z,6S)-3-ethylidene-6-methylpiperazine-2,5-dione
CID 134892545
(s)-2-amino-N-((s)-2-oxopiperidin-3-yl)propenamide
CID 138393122
Cyclo-(dehydroAla-l-Val)
CID 131192964
(6S)-1,6-dimethyl-3-methylidenepiperazine-2,5-dione
CID 10534880
3-Methylidene-6-propan-2-ylpiperazine-2,5-dione
CID 11506525
N-[1-(diethylamino)propan-2-yl]-2-(1-methyl-6-methylidene-5-oxopiperazin-2-yl)acetamide
CID 123637716
5-(2-Aminoethyl)-4-methyl-3-methylidenepiperazin-2-one
CID 123753743
5-Methyl-3-methylidenepiperazin-2-one
CID 141787569
2,5-Piperazinedione,1-acetyl-6-methyl-3-methylene-,(6S)-(9CI)
CID 11240827
(6S)-1-acetyl-3-methylidene-6-propan-2-ylpiperazine-2,5-dione
CID 12121625

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-fluoroethyl)-6-methylidenepiperazine-2,5-dione?
The IUPAC name of (3R)-3-(1-fluoroethyl)-6-methylidenepiperazine-2,5-dione (CID 118189455) is (3R)-3-(1-fluoroethyl)-6-methylidenepiperazine-2,5-dione.
What is the SMILES notation for (3R)-3-(1-fluoroethyl)-6-methylidenepiperazine-2,5-dione?
The canonical SMILES for (3R)-3-(1-fluoroethyl)-6-methylidenepiperazine-2,5-dione is C=C1NC(=O)[C@H](C(C)F)NC1=O.
What is the InChIKey of (3R)-3-(1-fluoroethyl)-6-methylidenepiperazine-2,5-dione?
The InChIKey is PIJPZJUZUWADCI-PVPKANODSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-3(8)5-7(12)9-4(2)6(11)10-5/h3,5H,2H2,1H3,(H,9,12)(H,10,11)/t3?,5-/m0/s1.
What are the key properties of (3R)-3-(1-fluoroethyl)-6-methylidenepiperazine-2,5-dione?
(3R)-3-(1-fluoroethyl)-6-methylidenepiperazine-2,5-dione has a molecular weight of 172.16 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-fluoroethyl)-6-methylidenepiperazine-2,5-dione is sourced from PubChem (CID 118189455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).