2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide

C15H23N3O — CID 103353540

IUPAC2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide
SMILESCCC1CCN(c2ccccc2C(N)=O)C(CN)C1
InChIInChI=1S/C15H23N3O/c1-2-11-7-8-18(12(9-11)10-16)14-6-4-3-5-13(14)15(17)19/h3-6,11-12H,2,7-10,16H2,1H3,(H2,17,19)
InChIKeyNBWNDVAVLIQAGJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.74
Rot. Bonds4

About 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide

2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide (PubChem CID 103353540) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide
PubChem CID103353540
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide
SMILESCCC1CCN(c2ccccc2C(N)=O)C(CN)C1
InChIInChI=1S/C15H23N3O/c1-2-11-7-8-18(12(9-11)10-16)14-6-4-3-5-13(14)15(17)19/h3-6,11-12H,2,7-10,16H2,1H3,(H2,17,19)
InChIKeyNBWNDVAVLIQAGJ-UHFFFAOYSA-N
XLogP1.74
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-2-methylpiperidin-1-yl)benzamide
CID 156693605
4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-2-chlorobenzamide
CID 103353699
[4-ethyl-1-[2-(trifluoromethyl)phenyl]piperidin-2-yl]methanamine
CID 103353554
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-methylbenzenesulfonamide
CID 103353710
2-(4-amino-2-methylpiperidin-1-yl)benzamide
CID 115313422
1-(2-carbamoylphenyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369504
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 103352346
1-(3-carbamoyl-2-pyridinyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427498
[4-ethyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine
CID 103353489
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2-chloro-3-methylphenyl)methanone
CID 103352294
[1-(5-bromo-2-nitrophenyl)-4-ethylpiperidin-2-yl]methanamine
CID 103353763
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 103352121

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide?
The IUPAC name of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide (CID 103353540) is 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide is CCC1CCN(c2ccccc2C(N)=O)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide?
The InChIKey is NBWNDVAVLIQAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-11-7-8-18(12(9-11)10-16)14-6-4-3-5-13(14)15(17)19/h3-6,11-12H,2,7-10,16H2,1H3,(H2,17,19).
What are the key properties of 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide?
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]benzamide is sourced from PubChem (CID 103353540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).