(5R)-5-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

C24H24F2N4O3 — CID 42407203

IUPAC(5R)-5-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
SMILESC[C@]1(C2CCN(C(=O)/C=C/c3cc(F)cc(F)c3)CC2)NC(=O)N(Cc2ccncc2)C1=O
InChIInChI=1S/C24H24F2N4O3/c1-24(22(32)30(23(33)28-24)15-16-4-8-27-9-5-16)18-6-10-29(11-7-18)21(31)3-2-17-12-19(25)14-20(26)13-17/h2-5,8-9,12-14,18H,6-7,10-11,15H2,1H3,(H,28,33)/b3-2+/t24-/m1/s1
InChIKeyZSUFNUUQQLSDPX-LEFICIQRSA-N
MW454.48 g/mol
LogP3.12
Rot. Bonds5

About (5R)-5-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

(5R)-5-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (PubChem CID 42407203) has the molecular formula C24H24F2N4O3 and a molecular weight of 454.48 g/mol. Its IUPAC name is (5R)-5-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
PubChem CID42407203
Molecular FormulaC24H24F2N4O3
Molecular Weight454.48 g/mol
Exact Mass454.18
IUPAC Name(5R)-5-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
SMILESC[C@]1(C2CCN(C(=O)/C=C/c3cc(F)cc(F)c3)CC2)NC(=O)N(Cc2ccncc2)C1=O
InChIInChI=1S/C24H24F2N4O3/c1-24(22(32)30(23(33)28-24)15-16-4-8-27-9-5-16)18-6-10-29(11-7-18)21(31)3-2-17-12-19(25)14-20(26)13-17/h2-5,8-9,12-14,18H,6-7,10-11,15H2,1H3,(H,28,33)/b3-2+/t24-/m1/s1
InChIKeyZSUFNUUQQLSDPX-LEFICIQRSA-N
XLogP3.12
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45194202
5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
CID 45174615
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
(5R)-5-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 42166777
(5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 42331802
3-[2-(4-methoxyphenyl)ethyl]-5-methyl-5-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 75099006
3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45210275
(5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 42467317
3-(3,5-difluorophenyl)-1-[4-[2-hydroxy-1-(4-pyridin-4-ylpiperidin-1-yl)ethyl]piperidin-1-yl]prop-2-en-1-one
CID 76839761
(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26325942
N-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 26346018
3-(3,5-difluorophenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 67540558

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (CID 42407203) is (5R)-5-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is C[C@]1(C2CCN(C(=O)/C=C/c3cc(F)cc(F)c3)CC2)NC(=O)N(Cc2ccncc2)C1=O.
What is the InChIKey of (5R)-5-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is ZSUFNUUQQLSDPX-LEFICIQRSA-N. The full InChI is InChI=1S/C24H24F2N4O3/c1-24(22(32)30(23(33)28-24)15-16-4-8-27-9-5-16)18-6-10-29(11-7-18)21(31)3-2-17-12-19(25)14-20(26)13-17/h2-5,8-9,12-14,18H,6-7,10-11,15H2,1H3,(H,28,33)/b3-2+/t24-/m1/s1.
What are the key properties of (5R)-5-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
(5R)-5-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 454.48 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42407203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).