2-[(4-fluorophenoxy)methyl]-5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrimidin-6-one

C17H18FN3O4 — CID 70725459

IUPAC2-[(4-fluorophenoxy)methyl]-5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc(COc2ccc(F)cc2)[nH]c1=O)N1CCCC(O)C1
InChIInChI=1S/C17H18FN3O4/c18-11-3-5-13(6-4-11)25-10-15-19-8-14(16(23)20-15)17(24)21-7-1-2-12(22)9-21/h3-6,8,12,22H,1-2,7,9-10H2,(H,19,20,23)
InChIKeyXRASHRKDQIDEAM-UHFFFAOYSA-N
MW347.35 g/mol
LogP1.08
Rot. Bonds4

About 2-[(4-fluorophenoxy)methyl]-5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrimidin-6-one

2-[(4-fluorophenoxy)methyl]-5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 70725459) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID70725459
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name2-[(4-fluorophenoxy)methyl]-5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc(COc2ccc(F)cc2)[nH]c1=O)N1CCCC(O)C1
InChIInChI=1S/C17H18FN3O4/c18-11-3-5-13(6-4-11)25-10-15-19-8-14(16(23)20-15)17(24)21-7-1-2-12(22)9-21/h3-6,8,12,22H,1-2,7,9-10H2,(H,19,20,23)
InChIKeyXRASHRKDQIDEAM-UHFFFAOYSA-N
XLogP1.08
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluorophenoxy)methyl]-5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrimidin-6-one 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 2-[(4-fluorophenoxy)methyl]-5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrimidin-6-one (CID 70725459) is 2-[(4-fluorophenoxy)methyl]-5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrimidin-6-one is O=C(c1cnc(COc2ccc(F)cc2)[nH]c1=O)N1CCCC(O)C1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is XRASHRKDQIDEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c18-11-3-5-13(6-4-11)25-10-15-19-8-14(16(23)20-15)17(24)21-7-1-2-12(22)9-21/h3-6,8,12,22H,1-2,7,9-10H2,(H,19,20,23).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrimidin-6-one?
2-[(4-fluorophenoxy)methyl]-5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 347.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-5-(3-hydroxypiperidine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 70725459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).