4-(4-fluoro-3-methylphenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one

C17H18FN3O2 — CID 110332467

IUPAC4-(4-fluoro-3-methylphenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2cc(C(=O)N3CCCCC3)[nH]c(=O)n2)ccc1F
InChIInChI=1S/C17H18FN3O2/c1-11-9-12(5-6-13(11)18)14-10-15(20-17(23)19-14)16(22)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8H2,1H3,(H,19,20,23)
InChIKeyVLCWOTNLDZQXNT-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.51
Rot. Bonds2

About 4-(4-fluoro-3-methylphenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one

4-(4-fluoro-3-methylphenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one (PubChem CID 110332467) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one
PubChem CID110332467
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name4-(4-fluoro-3-methylphenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2cc(C(=O)N3CCCCC3)[nH]c(=O)n2)ccc1F
InChIInChI=1S/C17H18FN3O2/c1-11-9-12(5-6-13(11)18)14-10-15(20-17(23)19-14)16(22)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8H2,1H3,(H,19,20,23)
InChIKeyVLCWOTNLDZQXNT-UHFFFAOYSA-N
XLogP2.51
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 17253529
CID 17253529
CID 22515212
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CID 22515215
CID 22515215
CID 22515224
CID 22515224
CID 22515207
CID 22515207
CID 22515210
CID 22515210
CID 22515211
CID 22515211
CID 67213602
CID 67213602
CID 68341174
CID 68341174
CID 89257631
CID 89257631
CID 123181933
CID 123181933
CID 134391098
CID 134391098

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one (CID 110332467) is 4-(4-fluoro-3-methylphenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one is Cc1cc(-c2cc(C(=O)N3CCCCC3)[nH]c(=O)n2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is VLCWOTNLDZQXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-11-9-12(5-6-13(11)18)14-10-15(20-17(23)19-14)16(22)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8H2,1H3,(H,19,20,23).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one?
4-(4-fluoro-3-methylphenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one has a molecular weight of 315.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 110332467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).