N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide

C18H26N2O4 — CID 108549152

IUPACN-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
SMILESCOCCOCC(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H26N2O4/c1-14-3-5-15(6-4-14)18(22)19-16-7-9-20(10-8-16)17(21)13-24-12-11-23-2/h3-6,16H,7-13H2,1-2H3,(H,19,22)
InChIKeyWLWWRVMXOZYKRK-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.38
Rot. Bonds7

About N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide

N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide (PubChem CID 108549152) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
PubChem CID108549152
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
SMILESCOCCOCC(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H26N2O4/c1-14-3-5-15(6-4-14)18(22)19-16-7-9-20(10-8-16)17(21)13-24-12-11-23-2/h3-6,16H,7-13H2,1-2H3,(H,19,22)
InChIKeyWLWWRVMXOZYKRK-UHFFFAOYSA-N
XLogP1.38
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552093
4-ethoxy-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108551932
N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide
CID 108559266
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554173
4-fluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 33009719
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549110
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555122
4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108549141
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549148
4-methoxy-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108548924
4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide?
The IUPAC name of N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide (CID 108549152) is N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide is COCCOCC(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide?
The InChIKey is WLWWRVMXOZYKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-14-3-5-15(6-4-14)18(22)19-16-7-9-20(10-8-16)17(21)13-24-12-11-23-2/h3-6,16H,7-13H2,1-2H3,(H,19,22).
What are the key properties of N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide?
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide has a molecular weight of 334.42 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-methylbenzamide is sourced from PubChem (CID 108549152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).