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

C25H30N2O5 — CID 108548532

IUPAC[3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
SMILESCCCc1ccc(OCC(=O)N2CCC(NC(=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)27-14-12-21(13-15-27)26-25(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,26,30)
InChIKeyNMUYBPNAHLLWOJ-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.36
Rot. Bonds8

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

[3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate (PubChem CID 108548532) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is [3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
PubChem CID108548532
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name[3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
SMILESCCCc1ccc(OCC(=O)N2CCC(NC(=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)27-14-12-21(13-15-27)26-25(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,26,30)
InChIKeyNMUYBPNAHLLWOJ-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-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108553048
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548465
[3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548529
4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108558056
5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide
CID 108551728
methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565166
N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide
CID 108550430
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557843
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555909
[3-[[1-(2-cyclohexylacetyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108927513
[3-[[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108927499
[3-[[1-[3-(2-chlorophenyl)propanoyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108927489

Frequently Asked Questions

What is the IUPAC name of [3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate (CID 108548532) is [3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate is CCCc1ccc(OCC(=O)N2CCC(NC(=O)c3cccc(OC(C)=O)c3)CC2)cc1.
What is the InChIKey of [3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate?
The InChIKey is NMUYBPNAHLLWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-3-5-19-8-10-22(11-9-19)31-17-24(29)27-14-12-21(13-15-27)26-25(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,26,30).
What are the key properties of [3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate?
[3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]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-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 108548532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).