N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide

C24H30N2O5 — CID 108552797

IUPACN-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(NC(=O)COc2cccc(C)c2C)CC1
InChIInChI=1S/C24H30N2O5/c1-16-7-5-8-19(17(16)2)31-15-22(27)25-18-11-13-26(14-12-18)24(28)23-20(29-3)9-6-10-21(23)30-4/h5-10,18H,11-15H2,1-4H3,(H,25,27)
InChIKeyFBPOQNYCCIECOJ-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.12
Rot. Bonds7

About N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide

N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide (PubChem CID 108552797) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
PubChem CID108552797
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC NameN-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCOc1cccc(OC)c1C(=O)N1CCC(NC(=O)COc2cccc(C)c2C)CC1
InChIInChI=1S/C24H30N2O5/c1-16-7-5-8-19(17(16)2)31-15-22(27)25-18-11-13-26(14-12-18)24(28)23-20(29-3)9-6-10-21(23)30-4/h5-10,18H,11-15H2,1-4H3,(H,25,27)
InChIKeyFBPOQNYCCIECOJ-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-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 108552814
N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 108560809
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 108552807
2-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108563833
2-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43389110
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butanamide
CID 110820607
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556653
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549210
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819454
2-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108565064
3-cyclohexyl-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555663

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide?
The IUPAC name of N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide (CID 108552797) is N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide?
The canonical SMILES for N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide is COc1cccc(OC)c1C(=O)N1CCC(NC(=O)COc2cccc(C)c2C)CC1.
What is the InChIKey of N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide?
The InChIKey is FBPOQNYCCIECOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-16-7-5-8-19(17(16)2)31-15-22(27)25-18-11-13-26(14-12-18)24(28)23-20(29-3)9-6-10-21(23)30-4/h5-10,18H,11-15H2,1-4H3,(H,25,27).
What are the key properties of N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide?
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-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-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide is sourced from PubChem (CID 108552797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).