[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate

C27H27NO4 — CID 23909728

IUPAC[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate
SMILESO=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C27H27NO4/c29-26(28-16-14-22(15-17-28)18-21-8-3-1-4-9-21)20-31-27(30)23-10-7-13-25(19-23)32-24-11-5-2-6-12-24/h1-13,19,22H,14-18,20H2
InChIKeyZDCJLIVZYXGYJQ-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.12
Rot. Bonds7

About [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate

[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate (PubChem CID 23909728) has the molecular formula C27H27NO4 and a molecular weight of 429.52 g/mol. Its IUPAC name is [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate.

Molecular Properties

Compound Name[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate
PubChem CID23909728
Molecular FormulaC27H27NO4
Molecular Weight429.52 g/mol
Exact Mass429.19
IUPAC Name[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate
SMILESO=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C27H27NO4/c29-26(28-16-14-22(15-17-28)18-21-8-3-1-4-9-21)20-31-27(30)23-10-7-13-25(19-23)32-24-11-5-2-6-12-24/h1-13,19,22H,14-18,20H2
InChIKeyZDCJLIVZYXGYJQ-UHFFFAOYSA-N
XLogP5.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-cyanobenzoate
CID 2626235
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethylbenzoate
CID 2338180
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23827029
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] pyridine-4-carboxylate
CID 2350843
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-amino-4-methylbenzoate
CID 2340416
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2571742
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
CID 2358006
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate
CID 17409284
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7238600
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 16503553
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 4215362
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2589438

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate?
The IUPAC name of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate (CID 23909728) is [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate.
What is the SMILES notation for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate?
The canonical SMILES for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate is O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate?
The InChIKey is ZDCJLIVZYXGYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO4/c29-26(28-16-14-22(15-17-28)18-21-8-3-1-4-9-21)20-31-27(30)23-10-7-13-25(19-23)32-24-11-5-2-6-12-24/h1-13,19,22H,14-18,20H2.
What are the key properties of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate?
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate has a molecular weight of 429.52 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-phenoxybenzoate is sourced from PubChem (CID 23909728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).