5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione

C23H25ClFN3O4 — CID 45168671

IUPAC5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C23H25ClFN3O4/c1-2-9-23(21(30)28(22(31)26-23)14-17-4-3-12-32-17)15-7-10-27(11-8-15)20(29)18-13-16(24)5-6-19(18)25/h3-6,12-13,15H,2,7-11,14H2,1H3,(H,26,31)
InChIKeyDCAQRSJJIBNDCP-UHFFFAOYSA-N
MW461.92 g/mol
LogP4.22
Rot. Bonds6

About 5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione

5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione (PubChem CID 45168671) has the molecular formula C23H25ClFN3O4 and a molecular weight of 461.92 g/mol. Its IUPAC name is 5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
PubChem CID45168671
Molecular FormulaC23H25ClFN3O4
Molecular Weight461.92 g/mol
Exact Mass461.15
IUPAC Name5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)NC(=O)N(Cc2ccco2)C1=O
InChIInChI=1S/C23H25ClFN3O4/c1-2-9-23(21(30)28(22(31)26-23)14-17-4-3-12-32-17)15-7-10-27(11-8-15)20(29)18-13-16(24)5-6-19(18)25/h3-6,12-13,15H,2,7-11,14H2,1H3,(H,26,31)
InChIKeyDCAQRSJJIBNDCP-UHFFFAOYSA-N
XLogP4.22
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.92
LogP ≤ 54.22
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

3-(furan-2-ylmethyl)-5-[1-(naphthalene-1-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 118754358
(5S)-3-(furan-2-ylmethyl)-5-[1-[(2R)-2-phenoxypropanoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 26275125
5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45168439
(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61150797
(5R)-3-[2-(dimethylamino)ethyl]-5-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 42465176
9-(5-chloro-2-fluorobenzoyl)-3-[(4-methylphenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 87053857
(5S)-5-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 26277668
(5R)-3-[(2-fluoro-5-methylphenyl)methyl]-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione
CID 95219274
5-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45206964
(5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 26278568
(5S)-5-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3-[2-(dimethylamino)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 42406087
5-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-[2-(dimethylamino)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45216723

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione (CID 45168671) is 5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione is CCCC1(C2CCN(C(=O)c3cc(Cl)ccc3F)CC2)NC(=O)N(Cc2ccco2)C1=O.
What is the InChIKey of 5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione?
The InChIKey is DCAQRSJJIBNDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O4/c1-2-9-23(21(30)28(22(31)26-23)14-17-4-3-12-32-17)15-7-10-27(11-8-15)20(29)18-13-16(24)5-6-19(18)25/h3-6,12-13,15H,2,7-11,14H2,1H3,(H,26,31).
What are the key properties of 5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione?
5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione has a molecular weight of 461.92 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 45168671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).