2-amino-5-[(2R)-2-ethyl-4-methylpiperidin-1-yl]benzamide

C15H23N3O — CID 156693593

IUPAC2-amino-5-[(2R)-2-ethyl-4-methylpiperidin-1-yl]benzamide
SMILESCC[C@@H]1CC(C)CCN1c1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C15H23N3O/c1-3-11-8-10(2)6-7-18(11)12-4-5-14(16)13(9-12)15(17)19/h4-5,9-11H,3,6-8,16H2,1-2H3,(H2,17,19)/t10?,11-/m1/s1
InChIKeyGAELDIMINQMROZ-RRKGBCIJSA-N
MW261.37 g/mol
LogP2.38
Rot. Bonds3

About 2-amino-5-[(2R)-2-ethyl-4-methylpiperidin-1-yl]benzamide

2-amino-5-[(2R)-2-ethyl-4-methylpiperidin-1-yl]benzamide (PubChem CID 156693593) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-5-[(2R)-2-ethyl-4-methylpiperidin-1-yl]benzamide.

Molecular Properties

Compound Name2-amino-5-[(2R)-2-ethyl-4-methylpiperidin-1-yl]benzamide
PubChem CID156693593
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-5-[(2R)-2-ethyl-4-methylpiperidin-1-yl]benzamide
SMILESCC[C@@H]1CC(C)CCN1c1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C15H23N3O/c1-3-11-8-10(2)6-7-18(11)12-4-5-14(16)13(9-12)15(17)19/h4-5,9-11H,3,6-8,16H2,1-2H3,(H2,17,19)/t10?,11-/m1/s1
InChIKeyGAELDIMINQMROZ-RRKGBCIJSA-N
XLogP2.38
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2R)-2-ethyl-4-methylpiperidin-1-yl]benzamide?
The IUPAC name of 2-amino-5-[(2R)-2-ethyl-4-methylpiperidin-1-yl]benzamide (CID 156693593) is 2-amino-5-[(2R)-2-ethyl-4-methylpiperidin-1-yl]benzamide.
What is the SMILES notation for 2-amino-5-[(2R)-2-ethyl-4-methylpiperidin-1-yl]benzamide?
The canonical SMILES for 2-amino-5-[(2R)-2-ethyl-4-methylpiperidin-1-yl]benzamide is CC[C@@H]1CC(C)CCN1c1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-[(2R)-2-ethyl-4-methylpiperidin-1-yl]benzamide?
The InChIKey is GAELDIMINQMROZ-RRKGBCIJSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-11-8-10(2)6-7-18(11)12-4-5-14(16)13(9-12)15(17)19/h4-5,9-11H,3,6-8,16H2,1-2H3,(H2,17,19)/t10?,11-/m1/s1.
What are the key properties of 2-amino-5-[(2R)-2-ethyl-4-methylpiperidin-1-yl]benzamide?
2-amino-5-[(2R)-2-ethyl-4-methylpiperidin-1-yl]benzamide has a molecular weight of 261.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2R)-2-ethyl-4-methylpiperidin-1-yl]benzamide is sourced from PubChem (CID 156693593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).