1-(4-fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)propan-2-one

C16H19FN2O2 — CID 160809452

IUPAC1-(4-fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)propan-2-one
SMILESC=CC(=O)N1CCN(CC(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H19FN2O2/c1-2-16(21)19-9-7-18(8-10-19)12-15(20)11-13-3-5-14(17)6-4-13/h2-6H,1,7-12H2
InChIKeySECWZYSDIQPNCX-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.27
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)propan-2-one

1-(4-fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)propan-2-one (PubChem CID 160809452) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)propan-2-one
PubChem CID160809452
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-(4-fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)propan-2-one
SMILESC=CC(=O)N1CCN(CC(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H19FN2O2/c1-2-16(21)19-9-7-18(8-10-19)12-15(20)11-13-3-5-14(17)6-4-13/h2-6H,1,7-12H2
InChIKeySECWZYSDIQPNCX-UHFFFAOYSA-N
XLogP1.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(4-fluorophenyl)propan-2-one
CID 43797036
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-(4-iodophenyl)propan-2-one;dihydrochloride
CID 67730424
1-(4-fluorophenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propan-2-one
CID 81103142
1-(4-fluorophenyl)-3-(1,4-oxazepan-4-yl)propan-2-one
CID 62973974
1-(4-fluorophenyl)-3-(4-propylpiperidin-1-yl)propan-2-one
CID 62206992
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethanethioamide
CID 63336589
1-(4-fluorophenyl)pent-4-en-2-one
CID 61380162
1-(4-fluorophenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-2-one
CID 103356858
1-(4-fluorophenyl)but-3-en-2-one
CID 21099291
N-carbamoyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 37404315
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 60953087

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)propan-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)propan-2-one (CID 160809452) is 1-(4-fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)propan-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)propan-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)propan-2-one is C=CC(=O)N1CCN(CC(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)propan-2-one?
The InChIKey is SECWZYSDIQPNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-2-16(21)19-9-7-18(8-10-19)12-15(20)11-13-3-5-14(17)6-4-13/h2-6H,1,7-12H2.
What are the key properties of 1-(4-fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)propan-2-one?
1-(4-fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)propan-2-one has a molecular weight of 290.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)propan-2-one is sourced from PubChem (CID 160809452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).