N-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide

C18H26N2O3 — CID 108966766

IUPACN-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCOc1ccccc1NC(=O)C(C)(C)C(=O)N1CCCC(C)C1
InChIInChI=1S/C18H26N2O3/c1-13-8-7-11-20(12-13)17(22)18(2,3)16(21)19-14-9-5-6-10-15(14)23-4/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,19,21)
InChIKeyUOESHCIFQNAQNI-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.92
Rot. Bonds4

About N-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide

N-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide (PubChem CID 108966766) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
PubChem CID108966766
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCOc1ccccc1NC(=O)C(C)(C)C(=O)N1CCCC(C)C1
InChIInChI=1S/C18H26N2O3/c1-13-8-7-11-20(12-13)17(22)18(2,3)16(21)19-14-9-5-6-10-15(14)23-4/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,19,21)
InChIKeyUOESHCIFQNAQNI-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966767
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)-3-oxopropanamide
CID 108966794
(3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 94857559
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048994
3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032853
N-(2,4-dichlorophenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966816
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966789
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966813
N-(2,5-dimethoxyphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958853
N-(2-chlorophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959205
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The IUPAC name of N-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide (CID 108966766) is N-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide is COc1ccccc1NC(=O)C(C)(C)C(=O)N1CCCC(C)C1.
What is the InChIKey of N-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The InChIKey is UOESHCIFQNAQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-8-7-11-20(12-13)17(22)18(2,3)16(21)19-14-9-5-6-10-15(14)23-4/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H,19,21).
What are the key properties of N-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
N-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide has a molecular weight of 318.42 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108966766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).