2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide

C19H28N2O2 — CID 108962002

IUPAC2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCc1ccc(CNC(=O)C(C)(C)C(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C19H28N2O2/c1-14-7-9-16(10-8-14)12-20-17(22)19(3,4)18(23)21-11-5-6-15(2)13-21/h7-10,15H,5-6,11-13H2,1-4H3,(H,20,22)
InChIKeyPXXYMAQXYMZIDG-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.90
Rot. Bonds4

About 2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide

2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide (PubChem CID 108962002) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
PubChem CID108962002
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCc1ccc(CNC(=O)C(C)(C)C(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C19H28N2O2/c1-14-7-9-16(10-8-14)12-20-17(22)19(3,4)18(23)21-11-5-6-15(2)13-21/h7-10,15H,5-6,11-13H2,1-4H3,(H,20,22)
InChIKeyPXXYMAQXYMZIDG-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.90
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-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108518107
N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108962425
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108965042
N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108964434
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide
CID 108965805
N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958370
N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135486
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 108964998
N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966723
2,2-dimethyl-N-[(3-methylphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958363
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109019797
2,2-dimethyl-N-[(3-methylphenyl)methyl]-3-oxo-3-piperidin-1-ylpropanamide
CID 108958742

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The IUPAC name of 2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide (CID 108962002) is 2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The canonical SMILES for 2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide is Cc1ccc(CNC(=O)C(C)(C)C(=O)N2CCCC(C)C2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
The InChIKey is PXXYMAQXYMZIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-7-9-16(10-8-14)12-20-17(22)19(3,4)18(23)21-11-5-6-15(2)13-21/h7-10,15H,5-6,11-13H2,1-4H3,(H,20,22).
What are the key properties of 2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide?
2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide has a molecular weight of 316.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108962002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).