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

C22H24FNO4 — CID 51110016

IUPACethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccc(OCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C22H24FNO4/c1-2-27-22(26)17-10-12-24(13-11-17)21(25)18-4-3-5-20(14-18)28-15-16-6-8-19(23)9-7-16/h3-9,14,17H,2,10-13,15H2,1H3
InChIKeyUNBNSHJCHNPQML-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.82
Rot. Bonds6

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

ethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate (PubChem CID 51110016) has the molecular formula C22H24FNO4 and a molecular weight of 385.44 g/mol. Its IUPAC name is ethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
PubChem CID51110016
Molecular FormulaC22H24FNO4
Molecular Weight385.44 g/mol
Exact Mass385.17
IUPAC Nameethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccc(OCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C22H24FNO4/c1-2-27-22(26)17-10-12-24(13-11-17)21(25)18-4-3-5-20(14-18)28-15-16-6-8-19(23)9-7-16/h3-9,14,17H,2,10-13,15H2,1H3
InChIKeyUNBNSHJCHNPQML-UHFFFAOYSA-N
XLogP3.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[3-(difluoromethoxy)benzoyl]piperidine-4-carboxylate
CID 51072598
ethyl 1-(3-acetyloxybenzoyl)piperidine-4-carboxylate
CID 6457246
ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
CID 32964503
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]methanone
CID 30797137
ethyl 1-[3-[(3-hydroxyphenyl)methyl]benzoyl]piperidine-4-carboxylate
CID 143311863
ethyl 1-[3-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43156402
ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 47069831
N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide
CID 30797122
[3-[(4-fluorophenyl)methoxy]phenyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56572417
ethyl 1-(6-hydroxynaphthalene-2-carbonyl)piperidine-4-carboxylate
CID 134222495
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
CID 25472791
ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate
CID 35512692

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate (CID 51110016) is ethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cccc(OCc3ccc(F)cc3)c2)CC1.
What is the InChIKey of ethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate?
The InChIKey is UNBNSHJCHNPQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO4/c1-2-27-22(26)17-10-12-24(13-11-17)21(25)18-4-3-5-20(14-18)28-15-16-6-8-19(23)9-7-16/h3-9,14,17H,2,10-13,15H2,1H3.
What are the key properties of ethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate?
ethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate has a molecular weight of 385.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 51110016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).