3-amino-2-(2-ethylpiperidin-1-yl)benzamide

C14H21N3O — CID 112578014

IUPAC3-amino-2-(2-ethylpiperidin-1-yl)benzamide
SMILESCCC1CCCCN1c1c(N)cccc1C(N)=O
InChIInChI=1S/C14H21N3O/c1-2-10-6-3-4-9-17(10)13-11(14(16)18)7-5-8-12(13)15/h5,7-8,10H,2-4,6,9,15H2,1H3,(H2,16,18)
InChIKeyFAPYQAVVKSELMJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.14
Rot. Bonds3

About 3-amino-2-(2-ethylpiperidin-1-yl)benzamide

3-amino-2-(2-ethylpiperidin-1-yl)benzamide (PubChem CID 112578014) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-amino-2-(2-ethylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-(2-ethylpiperidin-1-yl)benzamide
PubChem CID112578014
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-amino-2-(2-ethylpiperidin-1-yl)benzamide
SMILESCCC1CCCCN1c1c(N)cccc1C(N)=O
InChIInChI=1S/C14H21N3O/c1-2-10-6-3-4-9-17(10)13-11(14(16)18)7-5-8-12(13)15/h5,7-8,10H,2-4,6,9,15H2,1H3,(H2,16,18)
InChIKeyFAPYQAVVKSELMJ-UHFFFAOYSA-N
XLogP2.14
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-amino-2-[2-(hydroxymethyl)azepan-1-yl]benzoate
CID 116636830
2-(2-ethylazepan-1-yl)-3-fluorobenzoic acid
CID 104690126
3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide
CID 114087272
ethyl 2-amino-3-(2-ethylazepan-1-yl)benzoate
CID 104691272
3-amino-2-(azetidin-1-yl)benzamide
CID 130548096
3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 115934550
5-amino-2-(2-ethylpiperidin-1-yl)benzoic acid
CID 54888136
4-(2-ethylpiperidin-1-yl)quinoline-3-carbothioamide
CID 43669635
3-amino-2-(2-azabicyclo[2.2.1]heptan-2-yl)benzamide
CID 112578514
4-amino-3-(2-ethylazepan-1-yl)benzoic acid
CID 113441876
2-amino-3-(2-methylazepan-1-yl)benzamide
CID 113333036
2-amino-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
CID 115545034

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-ethylpiperidin-1-yl)benzamide?
The IUPAC name of 3-amino-2-(2-ethylpiperidin-1-yl)benzamide (CID 112578014) is 3-amino-2-(2-ethylpiperidin-1-yl)benzamide.
What is the SMILES notation for 3-amino-2-(2-ethylpiperidin-1-yl)benzamide?
The canonical SMILES for 3-amino-2-(2-ethylpiperidin-1-yl)benzamide is CCC1CCCCN1c1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-(2-ethylpiperidin-1-yl)benzamide?
The InChIKey is FAPYQAVVKSELMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-10-6-3-4-9-17(10)13-11(14(16)18)7-5-8-12(13)15/h5,7-8,10H,2-4,6,9,15H2,1H3,(H2,16,18).
What are the key properties of 3-amino-2-(2-ethylpiperidin-1-yl)benzamide?
3-amino-2-(2-ethylpiperidin-1-yl)benzamide has a molecular weight of 247.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-ethylpiperidin-1-yl)benzamide is sourced from PubChem (CID 112578014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).