(3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one

C14H17FN2O — CID 93114266

IUPAC(3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one
SMILESC=CCN1CCN(c2cccc(F)c2)C(=O)[C@H]1C
InChIInChI=1S/C14H17FN2O/c1-3-7-16-8-9-17(14(18)11(16)2)13-6-4-5-12(15)10-13/h3-6,10-11H,1,7-9H2,2H3/t11-/m1/s1
InChIKeyZMMNIVRGCDQUPC-LLVKDONJSA-N
MW248.30 g/mol
LogP2.05
Rot. Bonds3

About (3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one

(3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one (PubChem CID 93114266) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is (3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one
PubChem CID93114266
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name(3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one
SMILESC=CCN1CCN(c2cccc(F)c2)C(=O)[C@H]1C
InChIInChI=1S/C14H17FN2O/c1-3-7-16-8-9-17(14(18)11(16)2)13-6-4-5-12(15)10-13/h3-6,10-11H,1,7-9H2,2H3/t11-/m1/s1
InChIKeyZMMNIVRGCDQUPC-LLVKDONJSA-N
XLogP2.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24715881
(3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93321115
1-(2-chlorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one
CID 24716093
4-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
CID 46035767
(3R)-1-(3-bromophenyl)-4-[(2,6-difluorophenyl)methyl]-3-methylpiperazin-2-one
CID 93321240
1-(3-methoxyphenyl)-3-methyl-4-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperazin-2-one
CID 46988297
(3S)-1-(3-fluorophenyl)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 93323615
4-(2-chlorobenzoyl)-1-(3-fluorophenyl)-3-methylpiperazin-2-one
CID 24716622
1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione
CID 117026431
4-[(2,6-difluorophenyl)methyl]-1-(3-ethoxyphenyl)-3-methylpiperazin-2-one
CID 46035835
2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde
CID 84788522
1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
CID 24716334

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one?
The IUPAC name of (3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one (CID 93114266) is (3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one.
What is the SMILES notation for (3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one?
The canonical SMILES for (3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one is C=CCN1CCN(c2cccc(F)c2)C(=O)[C@H]1C.
What is the InChIKey of (3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one?
The InChIKey is ZMMNIVRGCDQUPC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-7-16-8-9-17(14(18)11(16)2)13-6-4-5-12(15)10-13/h3-6,10-11H,1,7-9H2,2H3/t11-/m1/s1.
What are the key properties of (3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one?
(3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one has a molecular weight of 248.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one is sourced from PubChem (CID 93114266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).