5-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one

C21H26FN3O2 — CID 56865757

IUPAC5-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCCC(CCc3ccccc3F)C2)c(=O)[nH]1
InChIInChI=1S/C21H26FN3O2/c1-14(2)19-23-12-17(20(26)24-19)21(27)25-11-5-6-15(13-25)9-10-16-7-3-4-8-18(16)22/h3-4,7-8,12,14-15H,5-6,9-11,13H2,1-2H3,(H,23,24,26)
InChIKeyGUOONNVGTYDNHC-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.52
Rot. Bonds5

About 5-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one

5-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 56865757) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 5-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID56865757
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name5-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCCC(CCc3ccccc3F)C2)c(=O)[nH]1
InChIInChI=1S/C21H26FN3O2/c1-14(2)19-23-12-17(20(26)24-19)21(27)25-11-5-6-15(13-25)9-10-16-7-3-4-8-18(16)22/h3-4,7-8,12,14-15H,5-6,9-11,13H2,1-2H3,(H,23,24,26)
InChIKeyGUOONNVGTYDNHC-UHFFFAOYSA-N
XLogP3.52
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 16033058
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CID 16033062
CID 16033062
CID 16033063
CID 16033063
CID 16033084
CID 16033084
CID 135458483
CID 135458483
CID 135458503
CID 135458503
CID 20878685
CID 20878685
CID 16033082
CID 16033082
CID 16614704
CID 16614704

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 56865757) is 5-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1ncc(C(=O)N2CCCC(CCc3ccccc3F)C2)c(=O)[nH]1.
What is the InChIKey of 5-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is GUOONNVGTYDNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-14(2)19-23-12-17(20(26)24-19)21(27)25-11-5-6-15(13-25)9-10-16-7-3-4-8-18(16)22/h3-4,7-8,12,14-15H,5-6,9-11,13H2,1-2H3,(H,23,24,26).
What are the key properties of 5-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
5-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 371.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 56865757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).