N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide

C15H17Cl2N3O — CID 23500829

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide
SMILESCN1CCC(C#N)(NC(=O)Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H17Cl2N3O/c1-20-7-5-15(10-18,6-8-20)19-14(21)9-11-12(16)3-2-4-13(11)17/h2-4H,5-9H2,1H3,(H,19,21)
InChIKeyAYDYDPSZALDLGA-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.64
Rot. Bonds3

About N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide

N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide (PubChem CID 23500829) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide
PubChem CID23500829
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide
SMILESCN1CCC(C#N)(NC(=O)Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H17Cl2N3O/c1-20-7-5-15(10-18,6-8-20)19-14(21)9-11-12(16)3-2-4-13(11)17/h2-4H,5-9H2,1H3,(H,19,21)
InChIKeyAYDYDPSZALDLGA-UHFFFAOYSA-N
XLogP2.64
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-(4-cyano-1-methylpiperidin-4-yl)acetamide
CID 62505287
methyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-1-methylpiperidine-4-carboxylate
CID 23500828
N-(4-cyano-1-methylpiperidin-4-yl)-2-(4-methoxyphenyl)acetamide
CID 60968260
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide
CID 61124140
2-(2-chloro-6-fluorophenyl)-N-[(3S)-3-cyanothiolan-3-yl]acetamide
CID 94797656
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-5-hydroxybenzamide
CID 106500981
(3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide
CID 95628883
2-(2,6-dichlorophenyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764608
N-(4-cyano-1-methylpiperidin-4-yl)-2-ethoxyacetamide
CID 61122372
N-(4-cyano-1-methylpiperidin-4-yl)hexanamide
CID 54904452
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
N-(4-cyano-1-methylpiperidin-4-yl)-2-iodobenzamide
CID 54904713

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide (CID 23500829) is N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide is CN1CCC(C#N)(NC(=O)Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide?
The InChIKey is AYDYDPSZALDLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-20-7-5-15(10-18,6-8-20)19-14(21)9-11-12(16)3-2-4-13(11)17/h2-4H,5-9H2,1H3,(H,19,21).
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide?
N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide has a molecular weight of 326.23 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)-2-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 23500829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).