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

C11H19FN2O — CID 158051128

IUPAC4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
SMILESC=C1C(=O)N(C(C)C)CCN1CCCF
InChIInChI=1S/C11H19FN2O/c1-9(2)14-8-7-13(6-4-5-12)10(3)11(14)15/h9H,3-8H2,1-2H3
InChIKeyPOMKSVSYTFSJSN-UHFFFAOYSA-N
MW214.28 g/mol
LogP1.41
Rot. Bonds4

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

4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one (PubChem CID 158051128) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
PubChem CID158051128
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
SMILESC=C1C(=O)N(C(C)C)CCN1CCCF
InChIInChI=1S/C11H19FN2O/c1-9(2)14-8-7-13(6-4-5-12)10(3)11(14)15/h9H,3-8H2,1-2H3
InChIKeyPOMKSVSYTFSJSN-UHFFFAOYSA-N
XLogP1.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 51.41
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
1-[3-(Dimethylamino)piperidin-1-yl]-2-fluoroprop-2-en-1-one
CID 123325579
4-Methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one
CID 123951722
(Z)-4-(dimethylamino)-2-fluoro-1-(3-methyl-4-propan-2-ylpiperazin-1-yl)but-2-en-1-one
CID 135165366
1-[3-(Fluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 135165391
(Z)-4-(dimethylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)-2-fluorobut-2-en-1-one
CID 142388383
(Z)-4-(dimethylamino)-1-(3,4-dimethylpiperazin-1-yl)-2-fluorobut-2-en-1-one
CID 147513475
2-fluoro-1-[(3S)-4-iodo-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 155332146
1-(4-Butan-2-yl-3-fluoropiperazin-1-yl)prop-2-en-1-one
CID 155474816
2-fluoro-1-[(2R)-4-iodo-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 156206143
2-fluoro-1-[(2S,6R)-4-iodo-2,6-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 156206144

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one (CID 158051128) is 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one is C=C1C(=O)N(C(C)C)CCN1CCCF.
What is the InChIKey of 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?
The InChIKey is POMKSVSYTFSJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-9(2)14-8-7-13(6-4-5-12)10(3)11(14)15/h9H,3-8H2,1-2H3.
What are the key properties of 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?
4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one has a molecular weight of 214.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 158051128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).