N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide

C22H28N2O — CID 10019926

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
SMILESCN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-23(22(25)21-10-6-3-7-11-21)15-12-19-13-16-24(17-14-19)18-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3
InChIKeyXWAFYFQOGKPZHP-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.06
Rot. Bonds6

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide (PubChem CID 10019926) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
PubChem CID10019926
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
SMILESCN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1
InChIInChI=1S/C22H28N2O/c1-23(22(25)21-10-6-3-7-11-21)15-12-19-13-16-24(17-14-19)18-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3
InChIKeyXWAFYFQOGKPZHP-UHFFFAOYSA-N
XLogP4.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide;hydrochloride
CID 14096792
N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide
CID 14553502
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-2-phenylacetamide
CID 11163946
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide
CID 56983782
N-[2-(1-benzylpiperidin-4-yl)ethyl-ethylcarbamothioyl]benzamide
CID 10364177
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide
CID 23223142
4-(1-benzylpiperidin-4-yl)-N,N-diethylbutan-1-amine;ethane
CID 142036971
N-[(1-benzylpiperidin-4-yl)methyl]-1-ethyl-N-methyl-2-oxopyridine-4-carboxamide
CID 70716067
N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97201362
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
3-(1-benzylazepan-4-yl)propanoic acid
CID 82624039
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434309

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide (CID 10019926) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide is CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide?
The InChIKey is XWAFYFQOGKPZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-23(22(25)21-10-6-3-7-11-21)15-12-19-13-16-24(17-14-19)18-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3.
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide has a molecular weight of 336.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 10019926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).