3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4aH-quinazoline-2,4-dione

C22H22FN3O3 — CID 24871281

IUPAC3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4aH-quinazoline-2,4-dione
SMILESO=C(c1ccc(F)cc1)C1CCN(CCN2C(=O)N=C3C=CC=CC3C2=O)CC1
InChIInChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16,18H,9-14H2
InChIKeyGNPDDVHBRWCQIQ-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.87
Rot. Bonds5

About 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4aH-quinazoline-2,4-dione

3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4aH-quinazoline-2,4-dione (PubChem CID 24871281) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4aH-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4aH-quinazoline-2,4-dione
PubChem CID24871281
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4aH-quinazoline-2,4-dione
SMILESO=C(c1ccc(F)cc1)C1CCN(CCN2C(=O)N=C3C=CC=CC3C2=O)CC1
InChIInChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16,18H,9-14H2
InChIKeyGNPDDVHBRWCQIQ-UHFFFAOYSA-N
XLogP2.87
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone
CID 57279931
(4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride
CID 14882741
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042
(4-fluorophenyl)-[1-[2-(2-iodophenyl)ethyl]piperidin-4-yl]methanone
CID 11016205
1-[(3,4-dichlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one
CID 18780682
4-[[3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-oxobenzimidazol-1-yl]methyl]benzamide
CID 70256660
2-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 23037304
(4-fluorophenyl)-[1-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]butyl]piperidin-4-yl]methanone
CID 57162230
1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-[(2-methoxyphenyl)methyl]benzimidazol-2-one
CID 18780670
3-ethyl-1-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-3-methylindol-2-one;hydrochloride
CID 19075037

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4aH-quinazoline-2,4-dione?
The IUPAC name of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4aH-quinazoline-2,4-dione (CID 24871281) is 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4aH-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4aH-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4aH-quinazoline-2,4-dione is O=C(c1ccc(F)cc1)C1CCN(CCN2C(=O)N=C3C=CC=CC3C2=O)CC1.
What is the InChIKey of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4aH-quinazoline-2,4-dione?
The InChIKey is GNPDDVHBRWCQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16,18H,9-14H2.
What are the key properties of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4aH-quinazoline-2,4-dione?
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4aH-quinazoline-2,4-dione has a molecular weight of 395.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4aH-quinazoline-2,4-dione is sourced from PubChem (CID 24871281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).