N-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide

C17H27N3O — CID 43308095

IUPACN-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNC(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-13(15-8-10-20(3)11-9-15)19-12-14-4-6-16(7-5-14)17(21)18-2/h4-7,13,15,19H,8-12H2,1-3H3,(H,18,21)
InChIKeyNPINWKQMWZAEOQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.87
Rot. Bonds5

About N-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide

N-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide (PubChem CID 43308095) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
PubChem CID43308095
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNC(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-13(15-8-10-20(3)11-9-15)19-12-14-4-6-16(7-5-14)17(21)18-2/h4-7,13,15,19H,8-12H2,1-3H3,(H,18,21)
InChIKeyNPINWKQMWZAEOQ-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 103779601
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]benzoic acid
CID 81389676
3-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 43664751
4-[(1-ethylsulfonylpropan-2-ylamino)methyl]-N-methylbenzamide
CID 115626105
4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide
CID 60732797
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 62539575
4-[[1-(1-ethylpiperidin-4-yl)ethylamino]methyl]phenol
CID 114331379
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide
CID 28620099
(1S)-1-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 93283678
4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide
CID 103768922
4-[[[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125996
1-(1-ethylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 43308024

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide (CID 43308095) is N-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide is CNC(=O)c1ccc(CNC(C)C2CCN(C)CC2)cc1.
What is the InChIKey of N-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide?
The InChIKey is NPINWKQMWZAEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(15-8-10-20(3)11-9-15)19-12-14-4-6-16(7-5-14)17(21)18-2/h4-7,13,15,19H,8-12H2,1-3H3,(H,18,21).
What are the key properties of N-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide?
N-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide has a molecular weight of 289.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[1-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide is sourced from PubChem (CID 43308095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).