N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide

C16H21ClN2O3 — CID 108523071

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)N1CCCC(C)C1
InChIInChI=1S/C16H21ClN2O3/c1-10-5-4-6-19(9-10)16(21)15(20)18-13-7-11(2)12(17)8-14(13)22-3/h7-8,10H,4-6,9H2,1-3H3,(H,18,20)
InChIKeyGRKKPMJUEOXJBZ-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.85
Rot. Bonds2

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108523071) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108523071
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)N1CCCC(C)C1
InChIInChI=1S/C16H21ClN2O3/c1-10-5-4-6-19(9-10)16(21)15(20)18-13-7-11(2)12(17)8-14(13)22-3/h7-8,10H,4-6,9H2,1-3H3,(H,18,20)
InChIKeyGRKKPMJUEOXJBZ-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-(4-chloro-2,5-dimethoxyphenyl)-3-methylpiperidine-1-carbothioamide
CID 939074
N-(5-chloro-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335793
ethyl 1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoacetyl]piperidine-4-carboxylate
CID 108504305
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335752
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108525666
N-(4-hydroxy-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108509533
3-(azepan-1-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967101
4-(4-chloro-2-methoxy-5-methylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991531
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 108532474
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-(pyrrolidine-1-carbonyl)piperidine-3-carboxylate
CID 42960158
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503847

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide (CID 108523071) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide is COc1cc(Cl)c(C)cc1NC(=O)C(=O)N1CCCC(C)C1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is GRKKPMJUEOXJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-10-5-4-6-19(9-10)16(21)15(20)18-13-7-11(2)12(17)8-14(13)22-3/h7-8,10H,4-6,9H2,1-3H3,(H,18,20).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 324.81 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108523071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).