N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide

C24H30N2O5 — CID 108552968

IUPACN-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(NC(=O)COc3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C24H30N2O5/c1-16-5-6-20(11-17(16)2)31-15-23(27)25-19-7-9-26(10-8-19)24(28)18-12-21(29-3)14-22(13-18)30-4/h5-6,11-14,19H,7-10,15H2,1-4H3,(H,25,27)
InChIKeyXRFRVRRCEHOWMC-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.12
Rot. Bonds7

About N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide

N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 108552968) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
PubChem CID108552968
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC NameN-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(NC(=O)COc3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C24H30N2O5/c1-16-5-6-20(11-17(16)2)31-15-23(27)25-19-7-9-26(10-8-19)24(28)18-12-21(29-3)14-22(13-18)30-4/h5-6,11-14,19H,7-10,15H2,1-4H3,(H,25,27)
InChIKeyXRFRVRRCEHOWMC-UHFFFAOYSA-N
XLogP3.12
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108560903
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108549926
2-(3,4-dimethylphenoxy)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553023
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 41171859
2-(3,4-dimethylphenoxy)-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide
CID 108553006
2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108548368
2-chloroethyl 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560897
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108558731
N-[1-(3-chloro-2,2-dimethylpropanoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108560886
2-methoxy-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557132

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide (CID 108552968) is N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide is COc1cc(OC)cc(C(=O)N2CCC(NC(=O)COc3ccc(C)c(C)c3)CC2)c1.
What is the InChIKey of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is XRFRVRRCEHOWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-16-5-6-20(11-17(16)2)31-15-23(27)25-19-7-9-26(10-8-19)24(28)18-12-21(29-3)14-22(13-18)30-4/h5-6,11-14,19H,7-10,15H2,1-4H3,(H,25,27).
What are the key properties of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide?
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 426.51 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 108552968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).