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

C23H26N2O6 — CID 108556647

IUPAC[3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
SMILESCOc1ccccc1OCC(=O)NC1CCN(C(=O)c2cccc(OC(C)=O)c2)CC1
InChIInChI=1S/C23H26N2O6/c1-16(26)31-19-7-5-6-17(14-19)23(28)25-12-10-18(11-13-25)24-22(27)15-30-21-9-4-3-8-20(21)29-2/h3-9,14,18H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyAGZXZTNKRGGDBK-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.42
Rot. Bonds7

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

[3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate (PubChem CID 108556647) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is [3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
PubChem CID108556647
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Name[3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
SMILESCOc1ccccc1OCC(=O)NC1CCN(C(=O)c2cccc(OC(C)=O)c2)CC1
InChIInChI=1S/C23H26N2O6/c1-16(26)31-19-7-5-6-17(14-19)23(28)25-12-10-18(11-13-25)24-22(27)15-30-21-9-4-3-8-20(21)29-2/h3-9,14,18H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyAGZXZTNKRGGDBK-UHFFFAOYSA-N
XLogP2.42
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.42
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

[3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108553048
[3-[4-(4-chlorobutanoylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108563337
[3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548503
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556653
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556694
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551244
[3-[4-[[[2-(2-ethylphenoxy)acetyl]amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927224
[3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548529
[3-[4-(2-methylprop-2-enoylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108927552
[3-[4-[4-(2,6-dimethylphenoxy)butanoylamino]piperidine-1-carbonyl]phenyl] acetate
CID 108927434
3-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550372
2-(2-ethylphenoxy)-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557033

Frequently Asked Questions

What is the IUPAC name of [3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate?
The IUPAC name of [3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate (CID 108556647) is [3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate.
What is the SMILES notation for [3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate?
The canonical SMILES for [3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate is COc1ccccc1OCC(=O)NC1CCN(C(=O)c2cccc(OC(C)=O)c2)CC1.
What is the InChIKey of [3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate?
The InChIKey is AGZXZTNKRGGDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-16(26)31-19-7-5-6-17(14-19)23(28)25-12-10-18(11-13-25)24-22(27)15-30-21-9-4-3-8-20(21)29-2/h3-9,14,18H,10-13,15H2,1-2H3,(H,24,27).
What are the key properties of [3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate?
[3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate has a molecular weight of 426.47 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[[2-(2-methoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate is sourced from PubChem (CID 108556647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).