5-amino-N-ethyl-2-piperidin-1-ylbenzamide

C14H21N3O — CID 100651237

IUPAC5-amino-N-ethyl-2-piperidin-1-ylbenzamide
SMILESCCNC(=O)c1cc(N)ccc1N1CCCCC1
InChIInChI=1S/C14H21N3O/c1-2-16-14(18)12-10-11(15)6-7-13(12)17-8-4-3-5-9-17/h6-7,10H,2-5,8-9,15H2,1H3,(H,16,18)
InChIKeySKJWWWYQGXEWHD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.01
Rot. Bonds3

About 5-amino-N-ethyl-2-piperidin-1-ylbenzamide

5-amino-N-ethyl-2-piperidin-1-ylbenzamide (PubChem CID 100651237) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-amino-N-ethyl-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-amino-N-ethyl-2-piperidin-1-ylbenzamide
PubChem CID100651237
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-amino-N-ethyl-2-piperidin-1-ylbenzamide
SMILESCCNC(=O)c1cc(N)ccc1N1CCCCC1
InChIInChI=1S/C14H21N3O/c1-2-16-14(18)12-10-11(15)6-7-13(12)17-8-4-3-5-9-17/h6-7,10H,2-5,8-9,15H2,1H3,(H,16,18)
InChIKeySKJWWWYQGXEWHD-UHFFFAOYSA-N
XLogP2.01
TPSA58.36 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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide
CID 100651536
5-amino-2-(azepan-1-yl)-N-methylbenzamide
CID 100651466
5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide
CID 118569665
5-amino-2-morpholin-4-yl-N-propylbenzamide
CID 100651619
4-amino-2-(4,4-dimethylazepan-1-yl)-N-ethylbenzamide
CID 65283667
N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide
CID 168512289
4-amino-N-ethyl-2-(3-methoxypiperidin-1-yl)benzamide
CID 102955746
4-[1-(5-amino-2-piperidin-1-ylphenyl)-2-(ethylamino)-2-oxoethyl]benzoic acid
CID 54031071
N-(2-amino-2-oxoethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 9276846
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
N-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide
CID 91675436
5-(diethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 119505891

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-amino-N-ethyl-2-piperidin-1-ylbenzamide (CID 100651237) is 5-amino-N-ethyl-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-amino-N-ethyl-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-amino-N-ethyl-2-piperidin-1-ylbenzamide is CCNC(=O)c1cc(N)ccc1N1CCCCC1.
What is the InChIKey of 5-amino-N-ethyl-2-piperidin-1-ylbenzamide?
The InChIKey is SKJWWWYQGXEWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-16-14(18)12-10-11(15)6-7-13(12)17-8-4-3-5-9-17/h6-7,10H,2-5,8-9,15H2,1H3,(H,16,18).
What are the key properties of 5-amino-N-ethyl-2-piperidin-1-ylbenzamide?
5-amino-N-ethyl-2-piperidin-1-ylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 100651237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).