N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide

C15H18Cl2N2O2 — CID 62655751

IUPACN-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN2CCC(C=O)CC2)c1Cl
InChIInChI=1S/C15H18Cl2N2O2/c1-10-2-3-12(16)15(14(10)17)18-13(21)8-19-6-4-11(9-20)5-7-19/h2-3,9,11H,4-8H2,1H3,(H,18,21)
InChIKeyYJXQSVBRVICRCY-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.15
Rot. Bonds4

About N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide

N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide (PubChem CID 62655751) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
PubChem CID62655751
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN2CCC(C=O)CC2)c1Cl
InChIInChI=1S/C15H18Cl2N2O2/c1-10-2-3-12(16)15(14(10)17)18-13(21)8-19-6-4-11(9-20)5-7-19/h2-3,9,11H,4-8H2,1H3,(H,18,21)
InChIKeyYJXQSVBRVICRCY-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 43556501
ethyl 1-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8931481
N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681882
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 102977279
N-(2,6-dichloro-3-methylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655408
N-(2,4-dimethylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62655914
N-(2,6-dichloro-3-methylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17494198
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 2708283
N-(2,6-dichloro-3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259807
N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41448326
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 7952417
2-(azetidin-3-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 64618728

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide (CID 62655751) is N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide is Cc1ccc(Cl)c(NC(=O)CN2CCC(C=O)CC2)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide?
The InChIKey is YJXQSVBRVICRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-10-2-3-12(16)15(14(10)17)18-13(21)8-19-6-4-11(9-20)5-7-19/h2-3,9,11H,4-8H2,1H3,(H,18,21).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide?
N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide has a molecular weight of 329.23 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide is sourced from PubChem (CID 62655751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).