[3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate

C25H30N2O5 — CID 108553048

IUPAC[3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
SMILESCCCc1ccc(OCC(=O)NC2CCN(C(=O)c3cccc(OC(C)=O)c3)CC2)cc1
InChIInChI=1S/C25H30N2O5/c1-3-5-19-8-10-22(11-9-19)31-17-24(29)26-21-12-14-27(15-13-21)25(30)20-6-4-7-23(16-20)32-18(2)28/h4,6-11,16,21H,3,5,12-15,17H2,1-2H3,(H,26,29)
InChIKeyUHKREGYNHHCGIR-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.36
Rot. Bonds8

About [3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate

[3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate (PubChem CID 108553048) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is [3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
PubChem CID108553048
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name[3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
SMILESCCCc1ccc(OCC(=O)NC2CCN(C(=O)c3cccc(OC(C)=O)c3)CC2)cc1
InChIInChI=1S/C25H30N2O5/c1-3-5-19-8-10-22(11-9-19)31-17-24(29)26-21-12-14-27(15-13-21)25(30)20-6-4-7-23(16-20)32-18(2)28/h4,6-11,16,21H,3,5,12-15,17H2,1-2H3,(H,26,29)
InChIKeyUHKREGYNHHCGIR-UHFFFAOYSA-N
XLogP3.36
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548532
[3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108556647
[3-[4-(4-chlorobutanoylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108563337
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553085
2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108553127
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553068
[3-[4-[4-(2,6-dimethylphenoxy)butanoylamino]piperidine-1-carbonyl]phenyl] acetate
CID 108927434
N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553098
butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560933
[3-[4-(2-methylprop-2-enoylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108927552
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556948
2-(2-ethylphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557069

Frequently Asked Questions

What is the IUPAC name of [3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate?
The IUPAC name of [3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate (CID 108553048) is [3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate.
What is the SMILES notation for [3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate?
The canonical SMILES for [3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate is CCCc1ccc(OCC(=O)NC2CCN(C(=O)c3cccc(OC(C)=O)c3)CC2)cc1.
What is the InChIKey of [3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate?
The InChIKey is UHKREGYNHHCGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-3-5-19-8-10-22(11-9-19)31-17-24(29)26-21-12-14-27(15-13-21)25(30)20-6-4-7-23(16-20)32-18(2)28/h4,6-11,16,21H,3,5,12-15,17H2,1-2H3,(H,26,29).
What are the key properties of [3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate?
[3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate has a molecular weight of 438.52 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate is sourced from PubChem (CID 108553048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).