[3-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate

C23H26N2O5 — CID 108927015

IUPAC[3-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate
SMILESCOc1ccccc1C(=O)N1CCC(CNC(=O)c2cccc(OC(C)=O)c2)CC1
InChIInChI=1S/C23H26N2O5/c1-16(26)30-19-7-5-6-18(14-19)22(27)24-15-17-10-12-25(13-11-17)23(28)20-8-3-4-9-21(20)29-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyRIMGIMCFJFCOCY-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.90
Rot. Bonds6

About [3-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate

[3-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate (PubChem CID 108927015) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is [3-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate
PubChem CID108927015
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name[3-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate
SMILESCOc1ccccc1C(=O)N1CCC(CNC(=O)c2cccc(OC(C)=O)c2)CC1
InChIInChI=1S/C23H26N2O5/c1-16(26)30-19-7-5-6-18(14-19)22(27)24-15-17-10-12-25(13-11-17)23(28)20-8-3-4-9-21(20)29-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyRIMGIMCFJFCOCY-UHFFFAOYSA-N
XLogP2.90
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.90
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-[[(3,5-dimethoxybenzoyl)amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927052
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
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
ethyl [4-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] carbonate
CID 108929913
[3-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927242
[3-[[1-[(E)-3,4-dimethylpent-2-enoyl]piperidin-4-yl]methylcarbamoyl]phenyl] acetate
CID 108927383
[3-[[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548503
3,4-dimethoxy-N-[[1-(naphthalene-1-carbonyl)piperidin-4-yl]methyl]benzamide
CID 108935320
[3-[4-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927030
N-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935228
[3-[[1-(2-cyclopentylideneacetyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate
CID 108927377

Frequently Asked Questions

What is the IUPAC name of [3-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate?
The IUPAC name of [3-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate (CID 108927015) is [3-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate is COc1ccccc1C(=O)N1CCC(CNC(=O)c2cccc(OC(C)=O)c2)CC1.
What is the InChIKey of [3-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate?
The InChIKey is RIMGIMCFJFCOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-16(26)30-19-7-5-6-18(14-19)22(27)24-15-17-10-12-25(13-11-17)23(28)20-8-3-4-9-21(20)29-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,24,27).
What are the key properties of [3-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate?
[3-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate has a molecular weight of 410.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-(2-methoxybenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 108927015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).