N,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide

C17H26N2O — CID 169452618

IUPACN,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C2CCNCC2)cc1C
InChIInChI=1S/C17H26N2O/c1-4-19(5-2)17(20)16-7-6-15(12-13(16)3)14-8-10-18-11-9-14/h6-7,12,14,18H,4-5,8-11H2,1-3H3
InChIKeyHUAOFIATGKLSAJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.94
Rot. Bonds4

About N,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide

N,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide (PubChem CID 169452618) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide
PubChem CID169452618
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C2CCNCC2)cc1C
InChIInChI=1S/C17H26N2O/c1-4-19(5-2)17(20)16-7-6-15(12-13(16)3)14-8-10-18-11-9-14/h6-7,12,14,18H,4-5,8-11H2,1-3H3
InChIKeyHUAOFIATGKLSAJ-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,2-trimethyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 169452615
N,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 171365241
N-ethyl-2,4-dimethyl-N-piperidin-4-ylbenzamide
CID 60807085
2-methyl-5-piperidin-4-ylbenzamide
CID 175991950
N,N-diethyl-4-hydroxy-2-methylbenzamide
CID 103863610
N,2-dimethyl-5-piperidin-4-ylbenzamide
CID 171361874
5-chloro-N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82883488
ethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate
CID 117407560
2-methyl-4-piperidin-4-ylbenzonitrile
CID 68519777
N-cyclopentyl-2-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 171361893
4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid
CID 113400006
N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 79720319

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide?
The IUPAC name of N,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide (CID 169452618) is N,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide.
What is the SMILES notation for N,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide?
The canonical SMILES for N,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide is CCN(CC)C(=O)c1ccc(C2CCNCC2)cc1C.
What is the InChIKey of N,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide?
The InChIKey is HUAOFIATGKLSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-19(5-2)17(20)16-7-6-15(12-13(16)3)14-8-10-18-11-9-14/h6-7,12,14,18H,4-5,8-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide?
N,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methyl-4-piperidin-4-ylbenzamide is sourced from PubChem (CID 169452618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).