N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide

C18H25ClN2O2 — CID 108959210

IUPACN-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCc1cc(Cl)ccc1NC(=O)C(C)(C)C(=O)N1CCC(C)CC1
InChIInChI=1S/C18H25ClN2O2/c1-12-7-9-21(10-8-12)17(23)18(3,4)16(22)20-15-6-5-14(19)11-13(15)2/h5-6,11-12H,7-10H2,1-4H3,(H,20,22)
InChIKeyXXSQGTIIHXVYML-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.87
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide

N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide (PubChem CID 108959210) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
PubChem CID108959210
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCc1cc(Cl)ccc1NC(=O)C(C)(C)C(=O)N1CCC(C)CC1
InChIInChI=1S/C18H25ClN2O2/c1-12-7-9-21(10-8-12)17(23)18(3,4)16(22)20-15-6-5-14(19)11-13(15)2/h5-6,11-12H,7-10H2,1-4H3,(H,20,22)
InChIKeyXXSQGTIIHXVYML-UHFFFAOYSA-N
XLogP3.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.87
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-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959269
N-(4-bromo-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959255
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959266
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959913
N-(2-chlorophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959205
N-(2,4-dichlorophenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966816
N-(5-chloro-2-methylphenyl)-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958458
N-(2,4-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958896
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966813
N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014572
N-(4-bromo-2-methylphenyl)-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958504
N-(4-tert-butylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959202

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide (CID 108959210) is N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide is Cc1cc(Cl)ccc1NC(=O)C(C)(C)C(=O)N1CCC(C)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
The InChIKey is XXSQGTIIHXVYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-12-7-9-21(10-8-12)17(23)18(3,4)16(22)20-15-6-5-14(19)11-13(15)2/h5-6,11-12H,7-10H2,1-4H3,(H,20,22).
What are the key properties of N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide has a molecular weight of 336.86 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108959210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).