2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide

C17H24N2O2 — CID 62654217

IUPAC2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CN2CCCC(C=O)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-2-4-14-6-8-16(9-7-14)18-17(21)12-19-10-3-5-15(11-19)13-20/h6-9,13,15H,2-5,10-12H2,1H3,(H,18,21)
InChIKeyNWDJWTVRLUQQPI-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.49
Rot. Bonds6

About 2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide

2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide (PubChem CID 62654217) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide
PubChem CID62654217
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CN2CCCC(C=O)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-2-4-14-6-8-16(9-7-14)18-17(21)12-19-10-3-5-15(11-19)13-20/h6-9,13,15H,2-5,10-12H2,1H3,(H,18,21)
InChIKeyNWDJWTVRLUQQPI-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.49
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-formylpiperidin-1-yl)acetamide
CID 62656016
2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid
CID 64616096
2-(3-formylpiperidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 62660631
2-(3-formylpiperidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 62660823
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 81490451
N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 16779543
2-(3-formylpiperidin-1-yl)-N-(2,4,6-tribromophenyl)acetamide
CID 62660463
2-(3-aminopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 61297774
N-(4-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584126
N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43430359
N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 16779145
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 6914795

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide?
The IUPAC name of 2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide (CID 62654217) is 2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide.
What is the SMILES notation for 2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide?
The canonical SMILES for 2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide is CCCc1ccc(NC(=O)CN2CCCC(C=O)C2)cc1.
What is the InChIKey of 2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide?
The InChIKey is NWDJWTVRLUQQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-4-14-6-8-16(9-7-14)18-17(21)12-19-10-3-5-15(11-19)13-20/h6-9,13,15H,2-5,10-12H2,1H3,(H,18,21).
What are the key properties of 2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide?
2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylpiperidin-1-yl)-N-(4-propylphenyl)acetamide is sourced from PubChem (CID 62654217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).