5-fluoro-1-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidine-2,4-dione

C18H20FN3O3 — CID 167840541

IUPAC5-fluoro-1-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidine-2,4-dione
SMILESCn1cc(F)c(=O)n(Cc2cccc(C(=O)N3CCCCC3)c2)c1=O
InChIInChI=1S/C18H20FN3O3/c1-20-12-15(19)17(24)22(18(20)25)11-13-6-5-7-14(10-13)16(23)21-8-3-2-4-9-21/h5-7,10,12H,2-4,8-9,11H2,1H3
InChIKeyFRGJBRQFWFUWOJ-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.36
Rot. Bonds3

About 5-fluoro-1-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidine-2,4-dione

5-fluoro-1-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 167840541) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidine-2,4-dione
PubChem CID167840541
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name5-fluoro-1-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidine-2,4-dione
SMILESCn1cc(F)c(=O)n(Cc2cccc(C(=O)N3CCCCC3)c2)c1=O
InChIInChI=1S/C18H20FN3O3/c1-20-12-15(19)17(24)22(18(20)25)11-13-6-5-7-14(10-13)16(23)21-8-3-2-4-9-21/h5-7,10,12H,2-4,8-9,11H2,1H3
InChIKeyFRGJBRQFWFUWOJ-UHFFFAOYSA-N
XLogP1.36
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
3-[(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]benzoic acid
CID 90796127
azepan-1-yl-[3-(methylsulfanylmethyl)phenyl]methanone
CID 60667458
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
[3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 177347278
[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 60527564
[3-[[2-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 110899899
3-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinazolin-4-one
CID 47061607
4-ethyl-5-[(2S,3R)-3-methyloxolan-2-yl]-2-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1,2,4-triazol-3-one
CID 129001416

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidine-2,4-dione (CID 167840541) is 5-fluoro-1-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidine-2,4-dione is Cn1cc(F)c(=O)n(Cc2cccc(C(=O)N3CCCCC3)c2)c1=O.
What is the InChIKey of 5-fluoro-1-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is FRGJBRQFWFUWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-20-12-15(19)17(24)22(18(20)25)11-13-6-5-7-14(10-13)16(23)21-8-3-2-4-9-21/h5-7,10,12H,2-4,8-9,11H2,1H3.
What are the key properties of 5-fluoro-1-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidine-2,4-dione?
5-fluoro-1-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 345.37 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 167840541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).