4-(2-fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one

C10H17FN2O — CID 158051122

IUPAC4-(2-fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
SMILESC=C1C(=O)N(C(C)C)CCN1CCF
InChIInChI=1S/C10H17FN2O/c1-8(2)13-7-6-12(5-4-11)9(3)10(13)14/h8H,3-7H2,1-2H3
InChIKeyRTCOHTBHWKAQGJ-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.02
Rot. Bonds3

About 4-(2-fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one

4-(2-fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one (PubChem CID 158051122) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
PubChem CID158051122
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name4-(2-fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
SMILESC=C1C(=O)N(C(C)C)CCN1CCF
InChIInChI=1S/C10H17FN2O/c1-8(2)13-7-6-12(5-4-11)9(3)10(13)14/h8H,3-7H2,1-2H3
InChIKeyRTCOHTBHWKAQGJ-UHFFFAOYSA-N
XLogP1.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-Diacetyl-3-methylidenepiperazine-2,5-dione
CID 15228669
1-[(1-Fluorocyclopropyl)methyl]-4-methyl-3-methylidenepiperazin-2-one
CID 123173795
4-Methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one
CID 123951722
1-(3-Fluoro-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 135165347
2-Fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 156531541
2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 156531721
1-[(2S,6R)-2,6-dimethyl-4-propan-2-ylpiperazin-1-yl]-2-fluoroprop-2-en-1-one
CID 156531733
1-(2-Ethyl-4-propan-2-ylpiperazin-1-yl)-2-fluoroprop-2-en-1-one
CID 158493150
1-[(2R)-2-ethyl-4-propan-2-ylpiperazin-1-yl]-2-fluoroprop-2-en-1-one
CID 159759655
1-[(2S)-2-ethyl-4-propan-2-ylpiperazin-1-yl]-2-fluoroprop-2-en-1-one
CID 159759656
2-fluoro-1-[(2S,6R)-2,4,6-trimethylpiperazin-1-yl]prop-2-en-1-one
CID 167081721
1-(2,3-Dimethyl-4-propylpiperazin-1-yl)-2-fluoroprop-2-en-1-one
CID 169133960

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(2-fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one (CID 158051122) is 4-(2-fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(2-fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(2-fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one is C=C1C(=O)N(C(C)C)CCN1CCF.
What is the InChIKey of 4-(2-fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?
The InChIKey is RTCOHTBHWKAQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-8(2)13-7-6-12(5-4-11)9(3)10(13)14/h8H,3-7H2,1-2H3.
What are the key properties of 4-(2-fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?
4-(2-fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one has a molecular weight of 200.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 158051122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).