N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride

C17H27ClN2O — CID 120670985

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(CC(=O)NCC2NCCCC2(C)C)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13-5-7-14(8-6-13)11-16(20)19-12-15-17(2,3)9-4-10-18-15;/h5-8,15,18H,4,9-12H2,1-3H3,(H,19,20);1H
InChIKeyXMIYVBCPLYHRNK-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.85
Rot. Bonds4

About N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride

N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 120670985) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
PubChem CID120670985
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(CC(=O)NCC2NCCCC2(C)C)cc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-13-5-7-14(8-6-13)11-16(20)19-12-15-17(2,3)9-4-10-18-15;/h5-8,15,18H,4,9-12H2,1-3H3,(H,19,20);1H
InChIKeyXMIYVBCPLYHRNK-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,3-dimethylpiperidin-2-yl)methyl]benzamide;hydrochloride
CID 120670782
N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride
CID 120670926
N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride
CID 120670986
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide;hydrochloride
CID 120670962
N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 120670741
N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methylpyridine-2-carboxamide;dihydrochloride
CID 120671077
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride
CID 120671038
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120670803
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120671060
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide
CID 114083886
2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide
CID 114083921
N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride
CID 120670834

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride (CID 120670985) is N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride is Cc1ccc(CC(=O)NCC2NCCCC2(C)C)cc1.Cl.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is XMIYVBCPLYHRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-13-5-7-14(8-6-13)11-16(20)19-12-15-17(2,3)9-4-10-18-15;/h5-8,15,18H,4,9-12H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride?
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120670985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).