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

C17H21NO6 — CID 108754961

IUPACmethyl 1-(4-ethoxycarbonyloxybenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)Oc1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1
InChIInChI=1S/C17H21NO6/c1-3-23-17(21)24-14-6-4-12(5-7-14)15(19)18-10-8-13(9-11-18)16(20)22-2/h4-7,13H,3,8-11H2,1-2H3
InChIKeyHKLRCPAADOUMET-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.25
Rot. Bonds4

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

methyl 1-(4-ethoxycarbonyloxybenzoyl)piperidine-4-carboxylate (PubChem CID 108754961) has the molecular formula C17H21NO6 and a molecular weight of 335.36 g/mol. Its IUPAC name is methyl 1-(4-ethoxycarbonyloxybenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-ethoxycarbonyloxybenzoyl)piperidine-4-carboxylate
PubChem CID108754961
Molecular FormulaC17H21NO6
Molecular Weight335.36 g/mol
Exact Mass335.14
IUPAC Namemethyl 1-(4-ethoxycarbonyloxybenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)Oc1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1
InChIInChI=1S/C17H21NO6/c1-3-23-17(21)24-14-6-4-12(5-7-14)15(19)18-10-8-13(9-11-18)16(20)22-2/h4-7,13H,3,8-11H2,1-2H3
InChIKeyHKLRCPAADOUMET-UHFFFAOYSA-N
XLogP2.25
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108563374
[4-[4-(3,3-dimethylbutanoylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108563377
ethyl [4-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carbonyl]phenyl] carbonate
CID 108929904
methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
CID 26865644
ethyl [4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methylcarbamoyl]phenyl] carbonate
CID 108930107
ethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate
CID 108563373
[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108929937
ethyl [4-[4-[(3,4,5-trihydroxybenzoyl)amino]piperidine-1-carbonyl]phenyl] carbonate
CID 108551456
ethyl [4-[4-(oxolane-2-carbonylamino)piperidine-1-carbonyl]phenyl] carbonate
CID 108555222
ethyl [4-[4-[[2-(2-methylphenyl)acetyl]amino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930423
[4-[4-[[(2-cyclohexylacetyl)amino]methyl]piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108930208
methyl 1-[4-(bromomethyl)benzoyl]piperidine-4-carboxylate
CID 102850825

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-ethoxycarbonyloxybenzoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-ethoxycarbonyloxybenzoyl)piperidine-4-carboxylate (CID 108754961) is methyl 1-(4-ethoxycarbonyloxybenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-ethoxycarbonyloxybenzoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-ethoxycarbonyloxybenzoyl)piperidine-4-carboxylate is CCOC(=O)Oc1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1.
What is the InChIKey of methyl 1-(4-ethoxycarbonyloxybenzoyl)piperidine-4-carboxylate?
The InChIKey is HKLRCPAADOUMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6/c1-3-23-17(21)24-14-6-4-12(5-7-14)15(19)18-10-8-13(9-11-18)16(20)22-2/h4-7,13H,3,8-11H2,1-2H3.
What are the key properties of methyl 1-(4-ethoxycarbonyloxybenzoyl)piperidine-4-carboxylate?
methyl 1-(4-ethoxycarbonyloxybenzoyl)piperidine-4-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-ethoxycarbonyloxybenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 108754961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).