5-[3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione

C20H24FN3O4 — CID 166220949

IUPAC5-[3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(O)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H24FN3O4/c1-13-16(18(26)23-19(27)22-13)5-6-17(25)24-9-7-20(28,8-10-24)12-14-3-2-4-15(21)11-14/h2-4,11,28H,5-10,12H2,1H3,(H2,22,23,26,27)
InChIKeyYCPSIFIVYNOTSI-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.04
Rot. Bonds5

About 5-[3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 166220949) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is 5-[3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID166220949
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name5-[3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(O)(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H24FN3O4/c1-13-16(18(26)23-19(27)22-13)5-6-17(25)24-9-7-20(28,8-10-24)12-14-3-2-4-15(21)11-14/h2-4,11,28H,5-10,12H2,1H3,(H2,22,23,26,27)
InChIKeyYCPSIFIVYNOTSI-UHFFFAOYSA-N
XLogP1.04
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]-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-[3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 166220949) is 5-[3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(O)(Cc2cccc(F)c2)CC1.
What is the InChIKey of 5-[3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is YCPSIFIVYNOTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4/c1-13-16(18(26)23-19(27)22-13)5-6-17(25)24-9-7-20(28,8-10-24)12-14-3-2-4-15(21)11-14/h2-4,11,28H,5-10,12H2,1H3,(H2,22,23,26,27).
What are the key properties of 5-[3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 389.43 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 166220949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).