N-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide

C16H20Cl2N2O2 — CID 108958898

IUPACN-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
SMILESCC(C)(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCCCC1
InChIInChI=1S/C16H20Cl2N2O2/c1-16(2,15(22)20-6-4-3-5-7-20)14(21)19-13-9-11(17)8-12(18)10-13/h8-10H,3-7H2,1-2H3,(H,19,21)
InChIKeyBPDTZSIWXHIFKD-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.97
Rot. Bonds3

About N-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide

N-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide (PubChem CID 108958898) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
PubChem CID108958898
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC NameN-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
SMILESCC(C)(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCCCC1
InChIInChI=1S/C16H20Cl2N2O2/c1-16(2,15(22)20-6-4-3-5-7-20)14(21)19-13-9-11(17)8-12(18)10-13/h8-10H,3-7H2,1-2H3,(H,19,21)
InChIKeyBPDTZSIWXHIFKD-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958896
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958892
2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108958446
3-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967044
N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958859
N-(5-chloro-2-methylphenyl)-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958458
methyl 4-[(2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanoyl)amino]benzoate
CID 108958865
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967055
N-(2,3-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958900
N-(3,5-dichlorophenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 47335591
N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958901
3-(4-acetylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961240

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide (CID 108958898) is N-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide is CC(C)(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)N1CCCCC1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide?
The InChIKey is BPDTZSIWXHIFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-16(2,15(22)20-6-4-3-5-7-20)14(21)19-13-9-11(17)8-12(18)10-13/h8-10H,3-7H2,1-2H3,(H,19,21).
What are the key properties of N-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide?
N-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide has a molecular weight of 343.25 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-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 108958898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).