3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate

C26H23FNO4- — CID 22128638

IUPAC3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate
SMILESO=C(c1ccccc1)c1cccc(COC2CN(C(=O)[O-])CCC2c2ccc(F)cc2)c1
InChIInChI=1S/C26H24FNO4/c27-22-11-9-19(10-12-22)23-13-14-28(26(30)31)16-24(23)32-17-18-5-4-8-21(15-18)25(29)20-6-2-1-3-7-20/h1-12,15,23-24H,13-14,16-17H2,(H,30,31)/p-1
InChIKeyJCTLZNZVQZOROS-UHFFFAOYSA-M
MW432.47 g/mol
LogP3.77
Rot. Bonds6

About 3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate

3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate (PubChem CID 22128638) has the molecular formula C26H23FNO4- and a molecular weight of 432.47 g/mol. Its IUPAC name is 3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate
PubChem CID22128638
Molecular FormulaC26H23FNO4-
Molecular Weight432.47 g/mol
Exact Mass432.16
IUPAC Name3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate
SMILESO=C(c1ccccc1)c1cccc(COC2CN(C(=O)[O-])CCC2c2ccc(F)cc2)c1
InChIInChI=1S/C26H24FNO4/c27-22-11-9-19(10-12-22)23-13-14-28(26(30)31)16-24(23)32-17-18-5-4-8-21(15-18)25(29)20-6-2-1-3-7-20/h1-12,15,23-24H,13-14,16-17H2,(H,30,31)/p-1
InChIKeyJCTLZNZVQZOROS-UHFFFAOYSA-M
XLogP3.77
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 86604453
[3-[[4-(4-fluorophenyl)piperidin-3-yl]oxymethyl]phenyl]-phenylmethanone
CID 22127779
4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate
CID 22127028
4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126819
4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126950
4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22127103
4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22127874
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate
CID 22128190
4-(4-fluorophenyl)-3-(naphthalene-2-carbonyloxy)piperidine-1-carboxylate
CID 22126600
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine-1-carboxylate
CID 22128353
3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate
CID 22128644
4-[4-[2-(benzenesulfonyl)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22127382

Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate?
The IUPAC name of 3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate (CID 22128638) is 3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate.
What is the SMILES notation for 3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate?
The canonical SMILES for 3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate is O=C(c1ccccc1)c1cccc(COC2CN(C(=O)[O-])CCC2c2ccc(F)cc2)c1.
What is the InChIKey of 3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate?
The InChIKey is JCTLZNZVQZOROS-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H24FNO4/c27-22-11-9-19(10-12-22)23-13-14-28(26(30)31)16-24(23)32-17-18-5-4-8-21(15-18)25(29)20-6-2-1-3-7-20/h1-12,15,23-24H,13-14,16-17H2,(H,30,31)/p-1.
What are the key properties of 3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate?
3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate has a molecular weight of 432.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 22128638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).