N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide

C14H16Cl2N2O2 — CID 47335752

IUPACN-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C14H16Cl2N2O2/c1-9-3-2-6-18(8-9)14(20)13(19)17-12-7-10(15)4-5-11(12)16/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,19)
InChIKeyHXNRISKRFKXCIT-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.19
Rot. Bonds1

About N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide

N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 47335752) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID47335752
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC NameN-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C14H16Cl2N2O2/c1-9-3-2-6-18(8-9)14(20)13(19)17-12-7-10(15)4-5-11(12)16/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,19)
InChIKeyHXNRISKRFKXCIT-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335793
N-(3-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335785
N-(2,5-dichlorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056580
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523071
N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide
CID 81273796
N-(4-hydroxy-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108509533
N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026
[6-(2,5-dichloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126123
N-(2,4-dichlorophenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194372
N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108501574
2-(4-benzylpiperidin-1-yl)-N-(2,5-dichlorophenyl)-2-oxoacetamide
CID 108500909

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide (CID 47335752) is N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide is CC1CCCN(C(=O)C(=O)Nc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is HXNRISKRFKXCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-9-3-2-6-18(8-9)14(20)13(19)17-12-7-10(15)4-5-11(12)16/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,19).
What are the key properties of N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 315.20 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 47335752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).