methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate

C21H22FNO4 — CID 51153897

IUPACmethyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H22FNO4/c1-26-21(25)16-10-12-23(13-11-16)20(24)18-4-2-3-5-19(18)27-14-15-6-8-17(22)9-7-15/h2-9,16H,10-14H2,1H3
InChIKeyGICZVZJMMRGXBG-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.43
Rot. Bonds5

About methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate

methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate (PubChem CID 51153897) has the molecular formula C21H22FNO4 and a molecular weight of 371.41 g/mol. Its IUPAC name is methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
PubChem CID51153897
Molecular FormulaC21H22FNO4
Molecular Weight371.41 g/mol
Exact Mass371.15
IUPAC Namemethyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H22FNO4/c1-26-21(25)16-10-12-23(13-11-16)20(24)18-4-2-3-5-19(18)27-14-15-6-8-17(22)9-7-15/h2-9,16H,10-14H2,1H3
InChIKeyGICZVZJMMRGXBG-UHFFFAOYSA-N
XLogP3.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124703449
(4-aminopiperidin-1-yl)-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
CID 119373858
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 31307424
1-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]-1,4-diazepan-1-yl]ethanone
CID 134039062
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 112836609
[2-[(4-fluorophenyl)methoxy]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 110878351
1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
CID 119415302
(4-chlorophenyl)-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46550478
2-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543175
[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545027
1-[2-[(4-fluorophenyl)methoxy]benzoyl]-N-phenylpiperidine-3-carboxamide
CID 16575119
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate (CID 51153897) is methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)CC1.
What is the InChIKey of methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate?
The InChIKey is GICZVZJMMRGXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO4/c1-26-21(25)16-10-12-23(13-11-16)20(24)18-4-2-3-5-19(18)27-14-15-6-8-17(22)9-7-15/h2-9,16H,10-14H2,1H3.
What are the key properties of methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate?
methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate has a molecular weight of 371.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 51153897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).