5-[(4-fluorophenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-3-yl)imidazolidine-2,4-dione

C25H28FN3O4S — CID 45190489

IUPAC5-[(4-fluorophenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-3-yl)imidazolidine-2,4-dione
SMILESCc1ccsc1C(=O)N1CCC(C2(Cc3ccc(F)cc3)NC(=O)N(C3CCOC3)C2=O)CC1
InChIInChI=1S/C25H28FN3O4S/c1-16-9-13-34-21(16)22(30)28-10-6-18(7-11-28)25(14-17-2-4-19(26)5-3-17)23(31)29(24(32)27-25)20-8-12-33-15-20/h2-5,9,13,18,20H,6-8,10-12,14-15H2,1H3,(H,27,32)
InChIKeyKACLSDZSMXAVQA-UHFFFAOYSA-N
MW485.58 g/mol
LogP3.37
Rot. Bonds5

About 5-[(4-fluorophenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-3-yl)imidazolidine-2,4-dione

5-[(4-fluorophenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-3-yl)imidazolidine-2,4-dione (PubChem CID 45190489) has the molecular formula C25H28FN3O4S and a molecular weight of 485.58 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-3-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-3-yl)imidazolidine-2,4-dione
PubChem CID45190489
Molecular FormulaC25H28FN3O4S
Molecular Weight485.58 g/mol
Exact Mass485.18
IUPAC Name5-[(4-fluorophenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-3-yl)imidazolidine-2,4-dione
SMILESCc1ccsc1C(=O)N1CCC(C2(Cc3ccc(F)cc3)NC(=O)N(C3CCOC3)C2=O)CC1
InChIInChI=1S/C25H28FN3O4S/c1-16-9-13-34-21(16)22(30)28-10-6-18(7-11-28)25(14-17-2-4-19(26)5-3-17)23(31)29(24(32)27-25)20-8-12-33-15-20/h2-5,9,13,18,20H,6-8,10-12,14-15H2,1H3,(H,27,32)
InChIKeyKACLSDZSMXAVQA-UHFFFAOYSA-N
XLogP3.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(oxolan-3-yl)imidazolidine-2,4-dione
CID 45211435
(5R)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[(3R)-oxolan-3-yl]imidazolidine-2,4-dione
CID 42365904
5-[(4-fluorophenyl)methyl]-5-[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]-3-(oxolan-3-yl)imidazolidine-2,4-dione
CID 118756895
(5S)-5-[(4-fluorophenyl)methyl]-5-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-3-[(3S)-oxolan-3-yl]imidazolidine-2,4-dione
CID 26277788
3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45250817
5-[(4-fluorophenyl)methyl]-5-[1-[(E)-2-methylbut-2-enoyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione
CID 118755482
[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-(3-methylthiophen-2-yl)methanone
CID 91794608
(5S)-5-[(4-fluorophenyl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42190493
(5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42274167
3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45204257
(5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42452027
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-3-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-3-yl)imidazolidine-2,4-dione (CID 45190489) is 5-[(4-fluorophenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-3-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-3-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-3-yl)imidazolidine-2,4-dione is Cc1ccsc1C(=O)N1CCC(C2(Cc3ccc(F)cc3)NC(=O)N(C3CCOC3)C2=O)CC1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-3-yl)imidazolidine-2,4-dione?
The InChIKey is KACLSDZSMXAVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4S/c1-16-9-13-34-21(16)22(30)28-10-6-18(7-11-28)25(14-17-2-4-19(26)5-3-17)23(31)29(24(32)27-25)20-8-12-33-15-20/h2-5,9,13,18,20H,6-8,10-12,14-15H2,1H3,(H,27,32).
What are the key properties of 5-[(4-fluorophenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-3-yl)imidazolidine-2,4-dione?
5-[(4-fluorophenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-3-yl)imidazolidine-2,4-dione has a molecular weight of 485.58 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-3-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 45190489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).