5-[1-[3-(2,4-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione

C24H30F2N4O4 — CID 74583942

IUPAC5-[1-[3-(2,4-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione
SMILESCC1(C2CCN(C(=O)C=Cc3ccc(F)cc3F)CC2)NC(=O)N(CCN2CCOCC2)C1=O
InChIInChI=1S/C24H30F2N4O4/c1-24(22(32)30(23(33)27-24)11-10-28-12-14-34-15-13-28)18-6-8-29(9-7-18)21(31)5-3-17-2-4-19(25)16-20(17)26/h2-5,16,18H,6-15H2,1H3,(H,27,33)
InChIKeyYMJZYCSRBDOSSC-UHFFFAOYSA-N
MW476.52 g/mol
LogP1.86
Rot. Bonds6

About 5-[1-[3-(2,4-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione

5-[1-[3-(2,4-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione (PubChem CID 74583942) has the molecular formula C24H30F2N4O4 and a molecular weight of 476.52 g/mol. Its IUPAC name is 5-[1-[3-(2,4-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[3-(2,4-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione
PubChem CID74583942
Molecular FormulaC24H30F2N4O4
Molecular Weight476.52 g/mol
Exact Mass476.22
IUPAC Name5-[1-[3-(2,4-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione
SMILESCC1(C2CCN(C(=O)C=Cc3ccc(F)cc3F)CC2)NC(=O)N(CCN2CCOCC2)C1=O
InChIInChI=1S/C24H30F2N4O4/c1-24(22(32)30(23(33)27-24)11-10-28-12-14-34-15-13-28)18-6-8-29(9-7-18)21(31)5-3-17-2-4-19(25)16-20(17)26/h2-5,16,18H,6-15H2,1H3,(H,27,33)
InChIKeyYMJZYCSRBDOSSC-UHFFFAOYSA-N
XLogP1.86
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(2,4-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[1-[3-(2,4-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione (CID 74583942) is 5-[1-[3-(2,4-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[3-(2,4-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[3-(2,4-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione is CC1(C2CCN(C(=O)C=Cc3ccc(F)cc3F)CC2)NC(=O)N(CCN2CCOCC2)C1=O.
What is the InChIKey of 5-[1-[3-(2,4-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?
The InChIKey is YMJZYCSRBDOSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N4O4/c1-24(22(32)30(23(33)27-24)11-10-28-12-14-34-15-13-28)18-6-8-29(9-7-18)21(31)5-3-17-2-4-19(25)16-20(17)26/h2-5,16,18H,6-15H2,1H3,(H,27,33).
What are the key properties of 5-[1-[3-(2,4-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione?
5-[1-[3-(2,4-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione has a molecular weight of 476.52 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(2,4-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 74583942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).