N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide

C16H22N2O2 — CID 62656016

IUPACN-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide
SMILESCCc1cccc(NC(=O)CN2CCCC(C=O)C2)c1
InChIInChI=1S/C16H22N2O2/c1-2-13-5-3-7-15(9-13)17-16(20)11-18-8-4-6-14(10-18)12-19/h3,5,7,9,12,14H,2,4,6,8,10-11H2,1H3,(H,17,20)
InChIKeyWOQHYSXVSCNYMI-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.10
Rot. Bonds5

About N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide

N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide (PubChem CID 62656016) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide
PubChem CID62656016
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide
SMILESCCc1cccc(NC(=O)CN2CCCC(C=O)C2)c1
InChIInChI=1S/C16H22N2O2/c1-2-13-5-3-7-15(9-13)17-16(20)11-18-8-4-6-14(10-18)12-19/h3,5,7,9,12,14H,2,4,6,8,10-11H2,1H3,(H,17,20)
InChIKeyWOQHYSXVSCNYMI-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642263
2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide
CID 62654217
2-(3-aminopyrrolidin-1-yl)-N-(3-ethylphenyl)acetamide
CID 62067698
1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032214
N-(3-ethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 119923733
2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 62660823
N-(3-ethylphenyl)-2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]acetamide
CID 126817515
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119927202
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 119926805
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(3-ethylphenyl)acetamide;hydrochloride
CID 119926804
2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide
CID 62660463
N-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584123

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide (CID 62656016) is N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide is CCc1cccc(NC(=O)CN2CCCC(C=O)C2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide?
The InChIKey is WOQHYSXVSCNYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-13-5-3-7-15(9-13)17-16(20)11-18-8-4-6-14(10-18)12-19/h3,5,7,9,12,14H,2,4,6,8,10-11H2,1H3,(H,17,20).
What are the key properties of N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide?
N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-(3-formylpiperidin-1-yl)acetamide is sourced from PubChem (CID 62656016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).