methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate

C20H21NO4 — CID 26865644

IUPACmethyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C20H21NO4/c1-24-20(23)16-11-13-21(14-12-16)19(22)15-7-9-18(10-8-15)25-17-5-3-2-4-6-17/h2-10,16H,11-14H2,1H3
InChIKeyCOUHUDTUNDVSPB-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.50
Rot. Bonds4

About methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate

methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate (PubChem CID 26865644) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
PubChem CID26865644
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namemethyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C20H21NO4/c1-24-20(23)16-11-13-21(14-12-16)19(22)15-7-9-18(10-8-15)25-17-5-3-2-4-6-17/h2-10,16H,11-14H2,1H3
InChIKeyCOUHUDTUNDVSPB-UHFFFAOYSA-N
XLogP3.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate
CID 25385977
methyl 1-(4-ethoxycarbonyloxybenzoyl)piperidine-4-carboxylate
CID 108754961
methyl 1-[4-(bromomethyl)benzoyl]piperidine-4-carboxylate
CID 102850825
1-[4-(4-carbamoylphenoxy)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 56545504
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid
CID 45341289
1-[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 39980027
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 26003226
(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 55584193
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51153899

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate (CID 26865644) is methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate?
The InChIKey is COUHUDTUNDVSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-24-20(23)16-11-13-21(14-12-16)19(22)15-7-9-18(10-8-15)25-17-5-3-2-4-6-17/h2-10,16H,11-14H2,1H3.
What are the key properties of methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate?
methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate has a molecular weight of 339.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 26865644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).