N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide

C17H27N3O — CID 62657161

IUPACN-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(NCC2CCCN(C)C2)c(C)c1
InChIInChI=1S/C17H27N3O/c1-4-18-17(21)15-7-8-16(13(2)10-15)19-11-14-6-5-9-20(3)12-14/h7-8,10,14,19H,4-6,9,11-12H2,1-3H3,(H,18,21)
InChIKeyISKZKLKHYORHDA-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.50
Rot. Bonds5

About N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide

N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide (PubChem CID 62657161) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
PubChem CID62657161
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(NCC2CCCN(C)C2)c(C)c1
InChIInChI=1S/C17H27N3O/c1-4-18-17(21)15-7-8-16(13(2)10-15)19-11-14-6-5-9-20(3)12-14/h7-8,10,14,19H,4-6,9,11-12H2,1-3H3,(H,18,21)
InChIKeyISKZKLKHYORHDA-UHFFFAOYSA-N
XLogP2.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 82989904
3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62656715
3-bromo-4-[(1-methylpiperidin-3-yl)methylamino]benzoic acid
CID 82801301
3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 82990765
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide
CID 62654182
4-(ethylamino)-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 63247733
4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide
CID 62656966
4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026989
N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide
CID 56712999
4-hydrazinyl-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63211845
N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026999
methyl 4-chloro-3-[(1-methylpiperidin-3-yl)methylamino]benzoate
CID 62656913

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The IUPAC name of N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide (CID 62657161) is N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide.
What is the SMILES notation for N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The canonical SMILES for N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide is CCNC(=O)c1ccc(NCC2CCCN(C)C2)c(C)c1.
What is the InChIKey of N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The InChIKey is ISKZKLKHYORHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-18-17(21)15-7-8-16(13(2)10-15)19-11-14-6-5-9-20(3)12-14/h7-8,10,14,19H,4-6,9,11-12H2,1-3H3,(H,18,21).
What are the key properties of N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide?
N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide is sourced from PubChem (CID 62657161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).