[3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate

C24H28N2O6 — CID 108548529

IUPAC[3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
SMILESCCOc1ccccc1OCC(=O)N1CCC(NC(=O)c2cccc(OC(C)=O)c2)CC1
InChIInChI=1S/C24H28N2O6/c1-3-30-21-9-4-5-10-22(21)31-16-23(28)26-13-11-19(12-14-26)25-24(29)18-7-6-8-20(15-18)32-17(2)27/h4-10,15,19H,3,11-14,16H2,1-2H3,(H,25,29)
InChIKeyXIINPKNXJAMTRQ-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.81
Rot. Bonds8

About [3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate

[3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate (PubChem CID 108548529) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is [3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
PubChem CID108548529
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name[3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
SMILESCCOc1ccccc1OCC(=O)N1CCC(NC(=O)c2cccc(OC(C)=O)c2)CC1
InChIInChI=1S/C24H28N2O6/c1-3-30-21-9-4-5-10-22(21)31-16-23(28)26-13-11-19(12-14-26)25-24(29)18-7-6-8-20(15-18)32-17(2)27/h4-10,15,19H,3,11-14,16H2,1-2H3,(H,25,29)
InChIKeyXIINPKNXJAMTRQ-UHFFFAOYSA-N
XLogP2.81
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555351
3-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550372
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550593
[3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548532
[3-[[1-(2-cyclohexylacetyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108927513
[3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548503
[3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108556647
[3-[[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108927489
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555092
N-cyclopropyl-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 9165476
prop-2-enyl 4-[(3-acetyloxybenzoyl)amino]piperidine-1-carboxylate
CID 108559049
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549679

Frequently Asked Questions

What is the IUPAC name of [3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate (CID 108548529) is [3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate is CCOc1ccccc1OCC(=O)N1CCC(NC(=O)c2cccc(OC(C)=O)c2)CC1.
What is the InChIKey of [3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate?
The InChIKey is XIINPKNXJAMTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-3-30-21-9-4-5-10-22(21)31-16-23(28)26-13-11-19(12-14-26)25-24(29)18-7-6-8-20(15-18)32-17(2)27/h4-10,15,19H,3,11-14,16H2,1-2H3,(H,25,29).
What are the key properties of [3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate?
[3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate has a molecular weight of 440.50 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 108548529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).