N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide

C14H16Cl2N2O2 — CID 47336395

IUPACN-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H16Cl2N2O2/c1-9-2-4-18(5-3-9)14(20)13(19)17-12-7-10(15)6-11(16)8-12/h6-9H,2-5H2,1H3,(H,17,19)
InChIKeyCMISKEZMGLIDNV-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.19
Rot. Bonds1

About N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide

N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 47336395) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID47336395
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC NameN-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H16Cl2N2O2/c1-9-2-4-18(5-3-9)14(20)13(19)17-12-7-10(15)6-11(16)8-12/h6-9H,2-5H2,1H3,(H,17,19)
InChIKeyCMISKEZMGLIDNV-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-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 47335591
N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793
N-(3,5-dichlorophenyl)-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044981
N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 47336374
N-[4-(diethylamino)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504633
2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501324
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504516
N-(3,5-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 113223015
(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 107654257
1-[2-(3,5-dichloroanilino)-2-oxoethanethioyl]piperidine-4-carboxamide
CID 17385988
ethyl 4-[[2-(3,5-dichloroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531047

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide (CID 47336395) is N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide is CC1CCN(C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is CMISKEZMGLIDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-9-2-4-18(5-3-9)14(20)13(19)17-12-7-10(15)6-11(16)8-12/h6-9H,2-5H2,1H3,(H,17,19).
What are the key properties of N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
N-(3,5-dichlorophenyl)-2-(4-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-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 47336395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).