N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide

C16H24N2O — CID 17249701

IUPACN-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
SMILESCCN1CCC(NC(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C16H24N2O/c1-4-18-9-7-15(8-10-18)17-16(19)14-6-5-12(2)13(3)11-14/h5-6,11,15H,4,7-10H2,1-3H3,(H,17,19)
InChIKeyOQJOQROWWAOCMP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.52
Rot. Bonds3

About N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide

N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide (PubChem CID 17249701) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
PubChem CID17249701
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
SMILESCCN1CCC(NC(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C16H24N2O/c1-4-18-9-7-15(8-10-18)17-16(19)14-6-5-12(2)13(3)11-14/h5-6,11,15H,4,7-10H2,1-3H3,(H,17,19)
InChIKeyOQJOQROWWAOCMP-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
4-hydroxy-3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 103951674
N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998614
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
N-(1-cyclopentylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 110752030
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide
CID 43726870
3,4-dimethyl-N-[1-[2-oxo-2-(4-pentan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]benzamide;ethane
CID 143404297
4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide
CID 17449412
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557638

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide (CID 17249701) is N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide is CCN1CCC(NC(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide?
The InChIKey is OQJOQROWWAOCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-18-9-7-15(8-10-18)17-16(19)14-6-5-12(2)13(3)11-14/h5-6,11,15H,4,7-10H2,1-3H3,(H,17,19).
What are the key properties of N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide?
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide has a molecular weight of 260.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide is sourced from PubChem (CID 17249701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).