(E)-1-(4-acetylpiperazin-1-yl)-3-(2,4-difluorophenyl)prop-2-en-1-one

C15H16F2N2O2 — CID 11109165

IUPAC(E)-1-(4-acetylpiperazin-1-yl)-3-(2,4-difluorophenyl)prop-2-en-1-one
SMILESCC(=O)N1CCN(C(=O)/C=C/c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H16F2N2O2/c1-11(20)18-6-8-19(9-7-18)15(21)5-3-12-2-4-13(16)10-14(12)17/h2-5,10H,6-9H2,1H3/b5-3+
InChIKeyOTAKDHCYOIRGQA-HWKANZROSA-N
MW294.30 g/mol
LogP1.67
Rot. Bonds2

About (E)-1-(4-acetylpiperazin-1-yl)-3-(2,4-difluorophenyl)prop-2-en-1-one

(E)-1-(4-acetylpiperazin-1-yl)-3-(2,4-difluorophenyl)prop-2-en-1-one (PubChem CID 11109165) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is (E)-1-(4-acetylpiperazin-1-yl)-3-(2,4-difluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-acetylpiperazin-1-yl)-3-(2,4-difluorophenyl)prop-2-en-1-one
PubChem CID11109165
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name(E)-1-(4-acetylpiperazin-1-yl)-3-(2,4-difluorophenyl)prop-2-en-1-one
SMILESCC(=O)N1CCN(C(=O)/C=C/c2ccc(F)cc2F)CC1
InChIInChI=1S/C15H16F2N2O2/c1-11(20)18-6-8-19(9-7-18)15(21)5-3-12-2-4-13(16)10-14(12)17/h2-5,10H,6-9H2,1H3/b5-3+
InChIKeyOTAKDHCYOIRGQA-HWKANZROSA-N
XLogP1.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.67
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

3-(2,4-difluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 91413237
1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one
CID 68697765
(E)-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 5374945
1-[3-(2,4-difluorophenyl)prop-2-enoyl]-4-[(3-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 74501370
3-(2-fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 84925595
(E)-1-[4-(4-acetylanilino)piperazin-1-yl]-3-(4-bromo-2-fluorophenyl)prop-2-en-1-one
CID 122434923
2-(4-acetylpiperazin-1-yl)-5-fluorobenzaldehyde
CID 43312919
N-[5-chloro-2-[(E)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 10001921
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 75145339
(E)-3-(2,4-dihydroxyphenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 155523938
(E)-3-(2-fluorophenyl)-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one
CID 27041312
3-(3-fluorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 73010756

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-acetylpiperazin-1-yl)-3-(2,4-difluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-acetylpiperazin-1-yl)-3-(2,4-difluorophenyl)prop-2-en-1-one (CID 11109165) is (E)-1-(4-acetylpiperazin-1-yl)-3-(2,4-difluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-acetylpiperazin-1-yl)-3-(2,4-difluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-acetylpiperazin-1-yl)-3-(2,4-difluorophenyl)prop-2-en-1-one is CC(=O)N1CCN(C(=O)/C=C/c2ccc(F)cc2F)CC1.
What is the InChIKey of (E)-1-(4-acetylpiperazin-1-yl)-3-(2,4-difluorophenyl)prop-2-en-1-one?
The InChIKey is OTAKDHCYOIRGQA-HWKANZROSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-11(20)18-6-8-19(9-7-18)15(21)5-3-12-2-4-13(16)10-14(12)17/h2-5,10H,6-9H2,1H3/b5-3+.
What are the key properties of (E)-1-(4-acetylpiperazin-1-yl)-3-(2,4-difluorophenyl)prop-2-en-1-one?
(E)-1-(4-acetylpiperazin-1-yl)-3-(2,4-difluorophenyl)prop-2-en-1-one has a molecular weight of 294.30 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-acetylpiperazin-1-yl)-3-(2,4-difluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 11109165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).