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

C15H20N2O3 — CID 62654790

IUPAC2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCCCC2C=O)c1
InChIInChI=1S/C15H20N2O3/c1-20-14-7-4-5-12(9-14)16-15(19)10-17-8-3-2-6-13(17)11-18/h4-5,7,9,11,13H,2-3,6,8,10H2,1H3,(H,16,19)
InChIKeyIBADADGRDIXVEQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.69
Rot. Bonds5

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

2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 62654790) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID62654790
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCCCC2C=O)c1
InChIInChI=1S/C15H20N2O3/c1-20-14-7-4-5-12(9-14)16-15(19)10-17-8-3-2-6-13(17)11-18/h4-5,7,9,11,13H,2-3,6,8,10H2,1H3,(H,16,19)
InChIKeyIBADADGRDIXVEQ-UHFFFAOYSA-N
XLogP1.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)azepan-1-yl]-N-(3-methoxyphenyl)acetamide
CID 116640393
2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 62654256
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 62046860
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79370579
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 39975440
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17495586
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide
CID 55864033
N-(3-fluorophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313328
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 60642548
2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 41269116
2-[2-(5-amino-1-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 119040618

Frequently Asked Questions

What is the IUPAC name of 2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide (CID 62654790) is 2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN2CCCCC2C=O)c1.
What is the InChIKey of 2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is IBADADGRDIXVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-14-7-4-5-12(9-14)16-15(19)10-17-8-3-2-6-13(17)11-18/h4-5,7,9,11,13H,2-3,6,8,10H2,1H3,(H,16,19).
What are the key properties of 2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide?
2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 62654790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).