6-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one

C17H18FN3O2 — CID 110115112

IUPAC6-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
SMILESO=C(Cc1ccc(F)cc1)N1CCCC(c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C17H18FN3O2/c18-14-5-3-12(4-6-14)10-16(22)21-9-1-2-13(11-21)15-7-8-19-17(23)20-15/h3-8,13H,1-2,9-11H2,(H,19,20,23)
InChIKeyANUKXNBFUNOCKZ-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.86
Rot. Bonds3

About 6-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one

6-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one (PubChem CID 110115112) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 6-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
PubChem CID110115112
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name6-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
SMILESO=C(Cc1ccc(F)cc1)N1CCCC(c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C17H18FN3O2/c18-14-5-3-12(4-6-14)10-16(22)21-9-1-2-13(11-21)15-7-8-19-17(23)20-15/h3-8,13H,1-2,9-11H2,(H,19,20,23)
InChIKeyANUKXNBFUNOCKZ-UHFFFAOYSA-N
XLogP1.86
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-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 6-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one (CID 110115112) is 6-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one is O=C(Cc1ccc(F)cc1)N1CCCC(c2ccnc(=O)[nH]2)C1.
What is the InChIKey of 6-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one?
The InChIKey is ANUKXNBFUNOCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-5-3-12(4-6-14)10-16(22)21-9-1-2-13(11-21)15-7-8-19-17(23)20-15/h3-8,13H,1-2,9-11H2,(H,19,20,23).
What are the key properties of 6-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one?
6-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one has a molecular weight of 315.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 110115112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).