1-[2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one

C19H25FN2O3 — CID 70712117

IUPAC1-[2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESO=C1CCCCN1CC(=O)N1CCCC(COc2cccc(F)c2)C1
InChIInChI=1S/C19H25FN2O3/c20-16-6-3-7-17(11-16)25-14-15-5-4-10-21(12-15)19(24)13-22-9-2-1-8-18(22)23/h3,6-7,11,15H,1-2,4-5,8-10,12-14H2
InChIKeyPKIJSCILGAXQFE-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.46
Rot. Bonds5

About 1-[2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one

1-[2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one (PubChem CID 70712117) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one
PubChem CID70712117
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name1-[2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one
SMILESO=C1CCCCN1CC(=O)N1CCCC(COc2cccc(F)c2)C1
InChIInChI=1S/C19H25FN2O3/c20-16-6-3-7-17(11-16)25-14-15-5-4-10-21(12-15)19(24)13-22-9-2-1-8-18(22)23/h3,6-7,11,15H,1-2,4-5,8-10,12-14H2
InChIKeyPKIJSCILGAXQFE-UHFFFAOYSA-N
XLogP2.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 26327850
1-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 70724052
1-[2-[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 26321736
4-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide
CID 95881091
4-fluoro-N-[[(3S)-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidin-3-yl]methyl]benzamide
CID 42210535
[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 95726991
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
1-[3-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one
CID 26328870
1-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70770060
1-[2-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 45237931
1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 25477580
2-(3-hydroxyphenyl)-1-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]ethanone
CID 95894928

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one (CID 70712117) is 1-[2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one is O=C1CCCCN1CC(=O)N1CCCC(COc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
The InChIKey is PKIJSCILGAXQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c20-16-6-3-7-17(11-16)25-14-15-5-4-10-21(12-15)19(24)13-22-9-2-1-8-18(22)23/h3,6-7,11,15H,1-2,4-5,8-10,12-14H2.
What are the key properties of 1-[2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one?
1-[2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one has a molecular weight of 348.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 70712117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).