3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5-phenyl-1H-pyrimidine-2,4-dione

C24H24FN3O3 — CID 14892172

IUPAC3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5-phenyl-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]cc(-c3ccccc3)c2=O)CC1
InChIInChI=1S/C24H24FN3O3/c25-20-8-6-18(7-9-20)22(29)19-10-12-27(13-11-19)14-15-28-23(30)21(16-26-24(28)31)17-4-2-1-3-5-17/h1-9,16,19H,10-15H2,(H,26,31)
InChIKeyOQKVBBYPDOVTDP-UHFFFAOYSA-N
MW421.47 g/mol
LogP2.94
Rot. Bonds6

About 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5-phenyl-1H-pyrimidine-2,4-dione

3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5-phenyl-1H-pyrimidine-2,4-dione (PubChem CID 14892172) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5-phenyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5-phenyl-1H-pyrimidine-2,4-dione
PubChem CID14892172
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5-phenyl-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]cc(-c3ccccc3)c2=O)CC1
InChIInChI=1S/C24H24FN3O3/c25-20-8-6-18(7-9-20)22(29)19-10-12-27(13-11-19)14-15-28-23(30)21(16-26-24(28)31)17-4-2-1-3-5-17/h1-9,16,19H,10-15H2,(H,26,31)
InChIKeyOQKVBBYPDOVTDP-UHFFFAOYSA-N
XLogP2.94
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-thieno[3,4-d]pyrimidine-2,4-dione
CID 14500398
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 14500384
4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide
CID 70256660
3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1,3-benzothiazol-2-one
CID 21424822
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 21424815
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-hydroxy-1,3-benzothiazol-2-one
CID 19437850
1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-[(2-methoxyphenyl)methyl]benzimidazol-2-one
CID 18780670
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-hydroxy-1H-quinazoline-2,4-dione;hydrate;hydrochloride
CID 70436834
(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone
CID 11016205
(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone
CID 57279931
1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one
CID 18780682

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5-phenyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5-phenyl-1H-pyrimidine-2,4-dione (CID 14892172) is 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5-phenyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5-phenyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5-phenyl-1H-pyrimidine-2,4-dione is O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]cc(-c3ccccc3)c2=O)CC1.
What is the InChIKey of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5-phenyl-1H-pyrimidine-2,4-dione?
The InChIKey is OQKVBBYPDOVTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c25-20-8-6-18(7-9-20)22(29)19-10-12-27(13-11-19)14-15-28-23(30)21(16-26-24(28)31)17-4-2-1-3-5-17/h1-9,16,19H,10-15H2,(H,26,31).
What are the key properties of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5-phenyl-1H-pyrimidine-2,4-dione?
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5-phenyl-1H-pyrimidine-2,4-dione has a molecular weight of 421.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5-phenyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 14892172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).