5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione

C17H18FN3O4 — CID 86286555

IUPAC5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc(C(=O)N2CCC(Oc3cccc(F)c3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H18FN3O4/c1-20-10-14(15(22)19-17(20)24)16(23)21-7-5-12(6-8-21)25-13-4-2-3-11(18)9-13/h2-4,9-10,12H,5-8H2,1H3,(H,19,22,24)
InChIKeyWICXJIXQQSOAAK-UHFFFAOYSA-N
MW347.35 g/mol
LogP0.90
Rot. Bonds3

About 5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione

5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione (PubChem CID 86286555) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
PubChem CID86286555
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc(C(=O)N2CCC(Oc3cccc(F)c3)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C17H18FN3O4/c1-20-10-14(15(22)19-17(20)24)16(23)21-7-5-12(6-8-21)25-13-4-2-3-11(18)9-13/h2-4,9-10,12H,5-8H2,1H3,(H,19,22,24)
InChIKeyWICXJIXQQSOAAK-UHFFFAOYSA-N
XLogP0.90
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3-fluorophenyl)azepane-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 91793434
[4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
CID 70771795
[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95811364
[3-(3-fluorophenoxy)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110196219
[2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 70729638
1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
CID 70742237
3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 70779246
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70728293
[3-(2-aminopropan-2-yl)-1,2-oxazol-5-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 138057193
[4-(3-fluorophenoxy)piperidin-1-yl]-(4-methoxyquinolin-2-yl)methanone
CID 67168779
(5S)-5-[3-[4-(3-fluorophenoxy)piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 51592543

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione (CID 86286555) is 5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione is Cn1cc(C(=O)N2CCC(Oc3cccc(F)c3)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is WICXJIXQQSOAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-20-10-14(15(22)19-17(20)24)16(23)21-7-5-12(6-8-21)25-13-4-2-3-11(18)9-13/h2-4,9-10,12H,5-8H2,1H3,(H,19,22,24).
What are the key properties of 5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione?
5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 347.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 86286555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).