5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione

C26H27FN4O3 — CID 45218943

IUPAC5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESO=C(C1=CCCC1)N1CCC(C2(c3cccnc3)NC(=O)N(Cc3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C26H27FN4O3/c27-22-9-7-18(8-10-22)17-31-24(33)26(29-25(31)34,21-6-3-13-28-16-21)20-11-14-30(15-12-20)23(32)19-4-1-2-5-19/h3-4,6-10,13,16,20H,1-2,5,11-12,14-15,17H2,(H,29,34)
InChIKeyVTWRXHUVVHVNSE-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.52
Rot. Bonds5

About 5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione

5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 45218943) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is 5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID45218943
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC Name5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESO=C(C1=CCCC1)N1CCC(C2(c3cccnc3)NC(=O)N(Cc3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C26H27FN4O3/c27-22-9-7-18(8-10-22)17-31-24(33)26(29-25(31)34,21-6-3-13-28-16-21)20-11-14-30(15-12-20)23(32)19-4-1-2-5-19/h3-4,6-10,13,16,20H,1-2,5,11-12,14-15,17H2,(H,29,34)
InChIKeyVTWRXHUVVHVNSE-UHFFFAOYSA-N
XLogP3.52
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 118759898
5-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45177279
(5S)-5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42435547
(5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42438189
(5S)-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42367924
5-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
CID 45170309
(5S)-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 26363027
(5S)-5-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42277490
(5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 95200931
(5R)-5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42472790
3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45194202

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione (CID 45218943) is 5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione is O=C(C1=CCCC1)N1CCC(C2(c3cccnc3)NC(=O)N(Cc3ccc(F)cc3)C2=O)CC1.
What is the InChIKey of 5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is VTWRXHUVVHVNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c27-22-9-7-18(8-10-22)17-31-24(33)26(29-25(31)34,21-6-3-13-28-16-21)20-11-14-30(15-12-20)23(32)19-4-1-2-5-19/h3-4,6-10,13,16,20H,1-2,5,11-12,14-15,17H2,(H,29,34).
What are the key properties of 5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 462.53 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 45218943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).