ethyl 1-[2-[4-[(3-hydroxyphenyl)methylcarbamoyloxy]phenoxy]ethyl]piperidine-4-carboxylate

C24H30N2O6 — CID 69342245

IUPACethyl 1-[2-[4-[(3-hydroxyphenyl)methylcarbamoyloxy]phenoxy]ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCOc2ccc(OC(=O)NCc3cccc(O)c3)cc2)CC1
InChIInChI=1S/C24H30N2O6/c1-2-30-23(28)19-10-12-26(13-11-19)14-15-31-21-6-8-22(9-7-21)32-24(29)25-17-18-4-3-5-20(27)16-18/h3-9,16,19,27H,2,10-15,17H2,1H3,(H,25,29)
InChIKeyYLADUFVVSLAFQR-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.33
Rot. Bonds9

About ethyl 1-[2-[4-[(3-hydroxyphenyl)methylcarbamoyloxy]phenoxy]ethyl]piperidine-4-carboxylate

ethyl 1-[2-[4-[(3-hydroxyphenyl)methylcarbamoyloxy]phenoxy]ethyl]piperidine-4-carboxylate (PubChem CID 69342245) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is ethyl 1-[2-[4-[(3-hydroxyphenyl)methylcarbamoyloxy]phenoxy]ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-[(3-hydroxyphenyl)methylcarbamoyloxy]phenoxy]ethyl]piperidine-4-carboxylate
PubChem CID69342245
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Nameethyl 1-[2-[4-[(3-hydroxyphenyl)methylcarbamoyloxy]phenoxy]ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCOc2ccc(OC(=O)NCc3cccc(O)c3)cc2)CC1
InChIInChI=1S/C24H30N2O6/c1-2-30-23(28)19-10-12-26(13-11-19)14-15-31-21-6-8-22(9-7-21)32-24(29)25-17-18-4-3-5-20(27)16-18/h3-9,16,19,27H,2,10-15,17H2,1H3,(H,25,29)
InChIKeyYLADUFVVSLAFQR-UHFFFAOYSA-N
XLogP3.33
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
ethyl 1-[2-[4-(pyridin-3-ylmethyl)phenoxy]ethyl]piperidine-4-carboxylate
CID 23553352
ethyl 1-[N-[(3-butoxyphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155721
ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate
CID 6459062
ethyl 1-[N'-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993366
ethyl 1-[2-(2-propoxyphenoxy)ethyl]piperidine-4-carboxylate
CID 6457402
ethyl 1-[3-(4-propan-2-yloxyphenoxy)propyl]piperidine-4-carboxylate
CID 6461813
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154
methyl 1-(2-naphthalen-2-yloxyethyl)piperidine-4-carboxylate
CID 10380866
ethyl 1-[3-[(3-hydroxyphenyl)methyl]benzoyl]piperidine-4-carboxylate
CID 143311863
N-[(4-ethoxyphenyl)carbamoyl]-1-[2-(3-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 126469868
ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid
CID 23724214

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-[(3-hydroxyphenyl)methylcarbamoyloxy]phenoxy]ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[4-[(3-hydroxyphenyl)methylcarbamoyloxy]phenoxy]ethyl]piperidine-4-carboxylate (CID 69342245) is ethyl 1-[2-[4-[(3-hydroxyphenyl)methylcarbamoyloxy]phenoxy]ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-[(3-hydroxyphenyl)methylcarbamoyloxy]phenoxy]ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-[(3-hydroxyphenyl)methylcarbamoyloxy]phenoxy]ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCOc2ccc(OC(=O)NCc3cccc(O)c3)cc2)CC1.
What is the InChIKey of ethyl 1-[2-[4-[(3-hydroxyphenyl)methylcarbamoyloxy]phenoxy]ethyl]piperidine-4-carboxylate?
The InChIKey is YLADUFVVSLAFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-2-30-23(28)19-10-12-26(13-11-19)14-15-31-21-6-8-22(9-7-21)32-24(29)25-17-18-4-3-5-20(27)16-18/h3-9,16,19,27H,2,10-15,17H2,1H3,(H,25,29).
What are the key properties of ethyl 1-[2-[4-[(3-hydroxyphenyl)methylcarbamoyloxy]phenoxy]ethyl]piperidine-4-carboxylate?
ethyl 1-[2-[4-[(3-hydroxyphenyl)methylcarbamoyloxy]phenoxy]ethyl]piperidine-4-carboxylate has a molecular weight of 442.51 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-[(3-hydroxyphenyl)methylcarbamoyloxy]phenoxy]ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 69342245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).