[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate

C24H28N2O6 — CID 108927052

IUPAC[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate
SMILESCOc1cc(OC)cc(C(=O)NCC2CCN(C(=O)c3cccc(OC(C)=O)c3)CC2)c1
InChIInChI=1S/C24H28N2O6/c1-16(27)32-20-6-4-5-18(11-20)24(29)26-9-7-17(8-10-26)15-25-23(28)19-12-21(30-2)14-22(13-19)31-3/h4-6,11-14,17H,7-10,15H2,1-3H3,(H,25,28)
InChIKeyXXDJAFVMWYTXGX-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.91
Rot. Bonds7

About [3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate

[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate (PubChem CID 108927052) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is [3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate
PubChem CID108927052
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate
SMILESCOc1cc(OC)cc(C(=O)NCC2CCN(C(=O)c3cccc(OC(C)=O)c3)CC2)c1
InChIInChI=1S/C24H28N2O6/c1-16(27)32-20-6-4-5-18(11-20)24(29)26-9-7-17(8-10-26)15-25-23(28)19-12-21(30-2)14-22(13-19)31-3/h4-6,11-14,17H,7-10,15H2,1-3H3,(H,25,28)
InChIKeyXXDJAFVMWYTXGX-UHFFFAOYSA-N
XLogP2.91
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.91
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-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439
[3-[4-[[(4-tert-butylbenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927152
[3-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927242
[3-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate
CID 108927015
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
[3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]phenyl] acetate
CID 108533189
[3-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927286
[3-[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927030
N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924591
[3-[4-[[[(E)-3-methylpent-2-enoyl]amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927382
[3-[4-[[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927074
[3-[[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate
CID 108927073

Frequently Asked Questions

What is the IUPAC name of [3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate?
The IUPAC name of [3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate (CID 108927052) is [3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate.
What is the SMILES notation for [3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate?
The canonical SMILES for [3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate is COc1cc(OC)cc(C(=O)NCC2CCN(C(=O)c3cccc(OC(C)=O)c3)CC2)c1.
What is the InChIKey of [3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate?
The InChIKey is XXDJAFVMWYTXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-16(27)32-20-6-4-5-18(11-20)24(29)26-9-7-17(8-10-26)15-25-23(28)19-12-21(30-2)14-22(13-19)31-3/h4-6,11-14,17H,7-10,15H2,1-3H3,(H,25,28).
What are the key properties of [3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate?
[3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate has a molecular weight of 440.50 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate is sourced from PubChem (CID 108927052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).