1-[1-[(E)-3-(2,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione

C23H21F2N3O3 — CID 91819504

IUPAC1-[1-[(E)-3-(2,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
SMILESO=C(/C=C/c1cc(F)ccc1F)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1
InChIInChI=1S/C23H21F2N3O3/c24-17-7-8-20(25)16(14-17)6-9-21(29)26-12-10-18(11-13-26)27-15-22(30)28(23(27)31)19-4-2-1-3-5-19/h1-9,14,18H,10-13,15H2/b9-6+
InChIKeyNQTKXENDSSVSKN-RMKNXTFCSA-N
MW425.44 g/mol
LogP3.44
Rot. Bonds4

About 1-[1-[(E)-3-(2,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione

1-[1-[(E)-3-(2,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione (PubChem CID 91819504) has the molecular formula C23H21F2N3O3 and a molecular weight of 425.44 g/mol. Its IUPAC name is 1-[1-[(E)-3-(2,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-[(E)-3-(2,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
PubChem CID91819504
Molecular FormulaC23H21F2N3O3
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name1-[1-[(E)-3-(2,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
SMILESO=C(/C=C/c1cc(F)ccc1F)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1
InChIInChI=1S/C23H21F2N3O3/c24-17-7-8-20(25)16(14-17)6-9-21(29)26-12-10-18(11-13-26)27-15-22(30)28(23(27)31)19-4-2-1-3-5-19/h1-9,14,18H,10-13,15H2/b9-6+
InChIKeyNQTKXENDSSVSKN-RMKNXTFCSA-N
XLogP3.44
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 139306179
1-[1-(4-bromothiophene-2-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 91819499
2-chloroacetyl chloride;1-[1-(2-chloroacetyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione;3-phenyl-1-piperidin-4-ylimidazolidine-2,4-dione
CID 167616386
1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 91819450
1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 43091913
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 75145339
1-[1-[2-(1-methylindol-3-yl)acetyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 91819445
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 163356602
(E)-3-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one
CID 54878339
3-(2-fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 84925595
3-(3-chlorophenyl)-1-cyclopropylimidazolidine-2,4-dione
CID 54924311
1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 141330450

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(E)-3-(2,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of 1-[1-[(E)-3-(2,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione (CID 91819504) is 1-[1-[(E)-3-(2,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-[(E)-3-(2,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1-[1-[(E)-3-(2,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione is O=C(/C=C/c1cc(F)ccc1F)N1CCC(N2CC(=O)N(c3ccccc3)C2=O)CC1.
What is the InChIKey of 1-[1-[(E)-3-(2,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The InChIKey is NQTKXENDSSVSKN-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H21F2N3O3/c24-17-7-8-20(25)16(14-17)6-9-21(29)26-12-10-18(11-13-26)27-15-22(30)28(23(27)31)19-4-2-1-3-5-19/h1-9,14,18H,10-13,15H2/b9-6+.
What are the key properties of 1-[1-[(E)-3-(2,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
1-[1-[(E)-3-(2,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione has a molecular weight of 425.44 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(E)-3-(2,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 91819504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).