N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide

C15H20Cl2N2O — CID 2681882

IUPACN-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN2CCC[C@H](C)C2)c1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-10-4-3-7-19(8-10)9-13(20)18-15-12(16)6-5-11(2)14(15)17/h5-6,10H,3-4,7-9H2,1-2H3,(H,18,20)/t10-/m0/s1
InChIKeyDEGNADUSLKTXLG-JTQLQIEISA-N
MW315.24 g/mol
LogP3.97
Rot. Bonds3

About N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide

N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide (PubChem CID 2681882) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
PubChem CID2681882
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
SMILESCc1ccc(Cl)c(NC(=O)CN2CCC[C@H](C)C2)c1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-10-4-3-7-19(8-10)9-13(20)18-15-12(16)6-5-11(2)14(15)17/h5-6,10H,3-4,7-9H2,1-2H3,(H,18,20)/t10-/m0/s1
InChIKeyDEGNADUSLKTXLG-JTQLQIEISA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 102977279
2-(4-aminopiperidin-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 43556501
2-[(3S)-3-methylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2681954
N-(2-methylnaphthalen-1-yl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 856171
N-(2,6-dichloro-3-methylphenyl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62655751
N-(2,6-diethylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 22197765
N-(3-amino-4-methylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 43375487
2-(3-methylpiperidin-1-yl)-N-pyridin-4-ylacetamide
CID 17066608
N-(2,6-dichloro-3-methylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41448326
ethyl 1-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8931481
N-(5-fluoro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 51454328
N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2682066

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide (CID 2681882) is N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide is Cc1ccc(Cl)c(NC(=O)CN2CCC[C@H](C)C2)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
The InChIKey is DEGNADUSLKTXLG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10-4-3-7-19(8-10)9-13(20)18-15-12(16)6-5-11(2)14(15)17/h5-6,10H,3-4,7-9H2,1-2H3,(H,18,20)/t10-/m0/s1.
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide?
N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide has a molecular weight of 315.24 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 2681882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).