5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide

C24H31N3O3 — CID 3987638

IUPAC5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(NC(C)=O)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H31N3O3/c1-18(28)26-21-8-9-23(22(17-21)24(29)25-12-15-30-2)27-13-10-20(11-14-27)16-19-6-4-3-5-7-19/h3-9,17,20H,10-16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyIUENVNYUBZVGPT-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.48
Rot. Bonds8

About 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide

5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide (PubChem CID 3987638) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide
PubChem CID3987638
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cc(NC(C)=O)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H31N3O3/c1-18(28)26-21-8-9-23(22(17-21)24(29)25-12-15-30-2)27-13-10-20(11-14-27)16-19-6-4-3-5-7-19/h3-9,17,20H,10-16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyIUENVNYUBZVGPT-UHFFFAOYSA-N
XLogP3.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide
CID 4042183
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)benzamide
CID 42757285
2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)-5-[(2-methoxyphenyl)carbamoylamino]benzamide
CID 3893161
2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-methoxyethyl)benzamide
CID 4691013
N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 4304484
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide
CID 4261431
5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 24717040
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide
CID 3313553
2-(4-benzylpiperidin-1-yl)-5-[(2-methoxyacetyl)amino]-N-(2-methylpropyl)benzamide
CID 1063121
2-(4-benzylpiperidin-1-yl)-5-(dimethylcarbamoylamino)-N-(3-ethoxypropyl)benzamide
CID 4297190
2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide
CID 3879106
2-(4-benzylpiperidin-1-yl)-5-[[(2S)-2-chloropropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92967321

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide (CID 3987638) is 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cc(NC(C)=O)ccc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide?
The InChIKey is IUENVNYUBZVGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-18(28)26-21-8-9-23(22(17-21)24(29)25-12-15-30-2)27-13-10-20(11-14-27)16-19-6-4-3-5-7-19/h3-9,17,20H,10-16H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide?
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide has a molecular weight of 409.53 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 3987638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).