3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C21H25FN2O3 — CID 46969823

IUPAC3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCCC(COc3ccccc3F)C2)c(=O)[nH]1
InChIInChI=1S/C21H25FN2O3/c1-14(2)18-10-9-16(20(25)23-18)21(26)24-11-5-6-15(12-24)13-27-19-8-4-3-7-17(19)22/h3-4,7-10,14-15H,5-6,11-13H2,1-2H3,(H,23,25)
InChIKeyVUFVETOZXUTLPR-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.57
Rot. Bonds5

About 3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 46969823) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID46969823
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCCC(COc3ccccc3F)C2)c(=O)[nH]1
InChIInChI=1S/C21H25FN2O3/c1-14(2)18-10-9-16(20(25)23-18)21(26)24-11-5-6-15(12-24)13-27-19-8-4-3-7-17(19)22/h3-4,7-10,14-15H,5-6,11-13H2,1-2H3,(H,23,25)
InChIKeyVUFVETOZXUTLPR-UHFFFAOYSA-N
XLogP3.57
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R)-3-[(3-methylphenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 51586625
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110638610
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638623
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanone
CID 46970937
2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 162679483
[(3S)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 95885714
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70712182
1-[2-[(3S)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95860963
2-(4-chloropyrazol-1-yl)-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]propan-1-one
CID 46972542
[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 95897446
5-[(3S)-3-[(4-fluorophenoxy)methyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 95867474
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 70785166

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 46969823) is 3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc(C(=O)N2CCCC(COc3ccccc3F)C2)c(=O)[nH]1.
What is the InChIKey of 3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is VUFVETOZXUTLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-14(2)18-10-9-16(20(25)23-18)21(26)24-11-5-6-15(12-24)13-27-19-8-4-3-7-17(19)22/h3-4,7-10,14-15H,5-6,11-13H2,1-2H3,(H,23,25).
What are the key properties of 3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 372.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-fluorophenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 46969823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).