6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,5-dihydropyrrolo[3,2-f][1,3]benzoxazol-2-one

C22H20FN3O3 — CID 22350190

IUPAC6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,5-dihydropyrrolo[3,2-f][1,3]benzoxazol-2-one
SMILESO=C(c1cc2cc3[nH]c(=O)oc3cc2[nH]1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H20FN3O3/c23-16-3-1-13(2-4-16)9-14-5-7-26(8-6-14)21(27)19-11-15-10-18-20(12-17(15)24-19)29-22(28)25-18/h1-4,10-12,14,24H,5-9H2,(H,25,28)
InChIKeyPRPUAPBOAQJPSA-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.84
Rot. Bonds3

About 6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,5-dihydropyrrolo[3,2-f][1,3]benzoxazol-2-one

6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,5-dihydropyrrolo[3,2-f][1,3]benzoxazol-2-one (PubChem CID 22350190) has the molecular formula C22H20FN3O3 and a molecular weight of 393.42 g/mol. Its IUPAC name is 6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,5-dihydropyrrolo[3,2-f][1,3]benzoxazol-2-one.

Molecular Properties

Compound Name6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,5-dihydropyrrolo[3,2-f][1,3]benzoxazol-2-one
PubChem CID22350190
Molecular FormulaC22H20FN3O3
Molecular Weight393.42 g/mol
Exact Mass393.15
IUPAC Name6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,5-dihydropyrrolo[3,2-f][1,3]benzoxazol-2-one
SMILESO=C(c1cc2cc3[nH]c(=O)oc3cc2[nH]1)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H20FN3O3/c23-16-3-1-13(2-4-16)9-14-5-7-26(8-6-14)21(27)19-11-15-10-18-20(12-17(15)24-19)29-22(28)25-18/h1-4,10-12,14,24H,5-9H2,(H,25,28)
InChIKeyPRPUAPBOAQJPSA-UHFFFAOYSA-N
XLogP3.84
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,5-dihydropyrrolo[3,2-f][1,3]benzoxazol-2-one with MolForge

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Related Compounds

6-[4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3H-1,3-benzoxazol-2-one
CID 142134724
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(2-oxo-3H-1,3-benzoxazol-6-yl)-2H-1,2-oxazole-5-carboxylic acid
CID 91101322
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 10111406
N-[2-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-1,1,1-trifluoromethanesulfonamide
CID 70018590
5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 110802394
6-[2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 18002817
(5,6-difluoro-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848386
2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-oxoacetic acid
CID 10309796
2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide
CID 167457452
6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3H-1,3-benzoxazol-2-one
CID 70018288
6-[3-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propanoyl]-3H-1,3-benzoxazol-2-one
CID 66598419
3H-1,3-benzoxazol-2-one;1H-indol-2-yl(piperidin-1-yl)methanone
CID 68509499

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,5-dihydropyrrolo[3,2-f][1,3]benzoxazol-2-one?
The IUPAC name of 6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,5-dihydropyrrolo[3,2-f][1,3]benzoxazol-2-one (CID 22350190) is 6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,5-dihydropyrrolo[3,2-f][1,3]benzoxazol-2-one.
What is the SMILES notation for 6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,5-dihydropyrrolo[3,2-f][1,3]benzoxazol-2-one?
The canonical SMILES for 6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,5-dihydropyrrolo[3,2-f][1,3]benzoxazol-2-one is O=C(c1cc2cc3[nH]c(=O)oc3cc2[nH]1)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,5-dihydropyrrolo[3,2-f][1,3]benzoxazol-2-one?
The InChIKey is PRPUAPBOAQJPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3/c23-16-3-1-13(2-4-16)9-14-5-7-26(8-6-14)21(27)19-11-15-10-18-20(12-17(15)24-19)29-22(28)25-18/h1-4,10-12,14,24H,5-9H2,(H,25,28).
What are the key properties of 6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,5-dihydropyrrolo[3,2-f][1,3]benzoxazol-2-one?
6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,5-dihydropyrrolo[3,2-f][1,3]benzoxazol-2-one has a molecular weight of 393.42 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1,5-dihydropyrrolo[3,2-f][1,3]benzoxazol-2-one is sourced from PubChem (CID 22350190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).