2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide

C18H28N2O — CID 112542110

IUPAC2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide
SMILESCc1ccc(C2CC(NC(=O)C(C)(C)C)CN(C)C2)cc1
InChIInChI=1S/C18H28N2O/c1-13-6-8-14(9-7-13)15-10-16(12-20(5)11-15)19-17(21)18(2,3)4/h6-9,15-16H,10-12H2,1-5H3,(H,19,21)
InChIKeyRJXYWJAZQGHRJE-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.95
Rot. Bonds2

About 2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide

2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide (PubChem CID 112542110) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide
PubChem CID112542110
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide
SMILESCc1ccc(C2CC(NC(=O)C(C)(C)C)CN(C)C2)cc1
InChIInChI=1S/C18H28N2O/c1-13-6-8-14(9-7-13)15-10-16(12-20(5)11-15)19-17(21)18(2,3)4/h6-9,15-16H,10-12H2,1-5H3,(H,19,21)
InChIKeyRJXYWJAZQGHRJE-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]acetamide
CID 112541665
1-methyl-5-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992089
tert-butyl N-[5-(4-fluorophenyl)-1-methylpiperidin-3-yl]carbamate
CID 112544288
N-cyclopentyl-1-methyl-5-(4-methylphenyl)piperidin-3-amine
CID 83999699
N-[5-(4-methoxyphenyl)-1-methylpiperidin-3-yl]acetamide
CID 112541659
methyl 4-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]benzoate
CID 170979091
tert-butyl N-[1-methyl-5-(3-methylphenyl)piperidin-3-yl]carbamate
CID 112544293
2,2-dimethyl-N-[(2S)-2-(4-methylphenyl)cyclopropyl]propanamide
CID 134863281
N-[5-(1-hydroxyethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542096
N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542085
methyl N-[1-(cyanomethyl)-5-(4-methylphenyl)piperidin-3-yl]carbamate
CID 112543541
2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 58679843

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide (CID 112542110) is 2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide is Cc1ccc(C2CC(NC(=O)C(C)(C)C)CN(C)C2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide?
The InChIKey is RJXYWJAZQGHRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-6-8-14(9-7-13)15-10-16(12-20(5)11-15)19-17(21)18(2,3)4/h6-9,15-16H,10-12H2,1-5H3,(H,19,21).
What are the key properties of 2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide?
2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide has a molecular weight of 288.44 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-methyl-5-(4-methylphenyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 112542110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).