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

7-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010494
4-Oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid phenethyl-amide
CID 750142
9-methyl-4-oxo-N-(2-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16033060
9-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16033058
9-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16033062
9-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16033063
N-[(4-Ethylphenyl)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
CID 16033084
2-hydroxy-8-methyl-4-oxo-N-(2-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458483
2-hydroxy-9-methyl-4-oxo-N-phenethyl-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458503
N-[(4-Fluorophenyl)methyl]-8-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
CID 20878685
N-[(3-Fluorophenyl)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
CID 16033082
N-[2-(4-fluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
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).