5-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione

C18H20FN3O4 — CID 70732954

IUPAC5-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN3O4/c1-11-15(17(24)21-18(25)20-11)10-16(23)22-8-6-14(7-9-22)26-13-4-2-12(19)3-5-13/h2-5,14H,6-10H2,1H3,(H2,20,21,24,25)
InChIKeySAFUWCSNTDPJGJ-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.12
Rot. Bonds4

About 5-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 70732954) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is 5-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID70732954
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name5-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN3O4/c1-11-15(17(24)21-18(25)20-11)10-16(23)22-8-6-14(7-9-22)26-13-4-2-12(19)3-5-13/h2-5,14H,6-10H2,1H3,(H2,20,21,24,25)
InChIKeySAFUWCSNTDPJGJ-UHFFFAOYSA-N
XLogP1.12
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 70732954) is 5-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 5-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is SAFUWCSNTDPJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4/c1-11-15(17(24)21-18(25)20-11)10-16(23)22-8-6-14(7-9-22)26-13-4-2-12(19)3-5-13/h2-5,14H,6-10H2,1H3,(H2,20,21,24,25).
What are the key properties of 5-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 361.37 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70732954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).