2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide

C17H24N2O2 — CID 62654256

IUPAC2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CN2CCCCC2C=O)c1
InChIInChI=1S/C17H24N2O2/c1-13(2)14-6-5-7-15(10-14)18-17(21)11-19-9-4-3-8-16(19)12-20/h5-7,10,12-13,16H,3-4,8-9,11H2,1-2H3,(H,18,21)
InChIKeyXTECXWYFMFOGAL-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.80
Rot. Bonds5

About 2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide

2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 62654256) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
PubChem CID62654256
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CN2CCCCC2C=O)c1
InChIInChI=1S/C17H24N2O2/c1-13(2)14-6-5-7-15(10-14)18-17(21)11-19-9-4-3-8-16(19)12-20/h5-7,10,12-13,16H,3-4,8-9,11H2,1-2H3,(H,18,21)
InChIKeyXTECXWYFMFOGAL-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.80
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

2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 62654790
1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 43441925
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 119925950
2-cyclohexylsulfanyl-N-(3-propan-2-ylphenyl)acetamide
CID 134042023
2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 61295961
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 60768456
N-cyclopropyl-2-[4-[2-oxo-2-(3-propan-2-ylanilino)ethyl]piperazin-1-yl]acetamide
CID 30670633
N-(2-ethyl-6-methylphenyl)-2-(2-formylpiperidin-1-yl)acetamide
CID 62654437
N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61372360
2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163
N-(4-cyanophenyl)-2-(2-formylpiperidin-1-yl)acetamide
CID 62654596
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 8583231

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide (CID 62654256) is 2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(NC(=O)CN2CCCCC2C=O)c1.
What is the InChIKey of 2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is XTECXWYFMFOGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)14-6-5-7-15(10-14)18-17(21)11-19-9-4-3-8-16(19)12-20/h5-7,10,12-13,16H,3-4,8-9,11H2,1-2H3,(H,18,21).
What are the key properties of 2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 62654256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).