3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione

C24H25FN4O3 — CID 45194202

IUPAC3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCC1(C2CCN(C(=O)/C=C/c3cccnc3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C24H25FN4O3/c1-24(22(31)29(23(32)27-24)16-18-4-7-20(25)8-5-18)19-10-13-28(14-11-19)21(30)9-6-17-3-2-12-26-15-17/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,27,32)/b9-6+
InChIKeyHKPCGQMNKUCZHF-RMKNXTFCSA-N
MW436.49 g/mol
LogP2.98
Rot. Bonds5

About 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione

3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45194202) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45194202
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCC1(C2CCN(C(=O)/C=C/c3cccnc3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C24H25FN4O3/c1-24(22(31)29(23(32)27-24)16-18-4-7-20(25)8-5-18)19-10-13-28(14-11-19)21(30)9-6-17-3-2-12-26-15-17/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,27,32)/b9-6+
InChIKeyHKPCGQMNKUCZHF-RMKNXTFCSA-N
XLogP2.98
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.98
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

(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
(5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 42467317
(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
(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
1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-4-carboxylic acid
CID 43170452
1-(3-pyridin-3-ylprop-2-enoyl)piperidine-4-carboxylic acid
CID 74865282
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)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26325942
5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 45218943
(E)-1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 34823435
1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-one
CID 82474288

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 45194202) is 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione is CC1(C2CCN(C(=O)/C=C/c3cccnc3)CC2)NC(=O)N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is HKPCGQMNKUCZHF-RMKNXTFCSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-24(22(31)29(23(32)27-24)16-18-4-7-20(25)8-5-18)19-10-13-28(14-11-19)21(30)9-6-17-3-2-12-26-15-17/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,27,32)/b9-6+.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione?
3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 436.49 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45194202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).