2-amino-5-(4-cyclopropylpiperidin-1-yl)benzamide

C15H21N3O — CID 153382110

IUPAC2-amino-5-(4-cyclopropylpiperidin-1-yl)benzamide
SMILESNC(=O)c1cc(N2CCC(C3CC3)CC2)ccc1N
InChIInChI=1S/C15H21N3O/c16-14-4-3-12(9-13(14)15(17)19)18-7-5-11(6-8-18)10-1-2-10/h3-4,9-11H,1-2,5-8,16H2,(H2,17,19)
InChIKeyMGWJHUYZYVUDND-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.99
Rot. Bonds3

About 2-amino-5-(4-cyclopropylpiperidin-1-yl)benzamide

2-amino-5-(4-cyclopropylpiperidin-1-yl)benzamide (PubChem CID 153382110) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-amino-5-(4-cyclopropylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-(4-cyclopropylpiperidin-1-yl)benzamide
PubChem CID153382110
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-amino-5-(4-cyclopropylpiperidin-1-yl)benzamide
SMILESNC(=O)c1cc(N2CCC(C3CC3)CC2)ccc1N
InChIInChI=1S/C15H21N3O/c16-14-4-3-12(9-13(14)15(17)19)18-7-5-11(6-8-18)10-1-2-10/h3-4,9-11H,1-2,5-8,16H2,(H2,17,19)
InChIKeyMGWJHUYZYVUDND-UHFFFAOYSA-N
XLogP1.99
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.99
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-(4-cyclopropylpiperidin-1-yl)benzamide?
The IUPAC name of 2-amino-5-(4-cyclopropylpiperidin-1-yl)benzamide (CID 153382110) is 2-amino-5-(4-cyclopropylpiperidin-1-yl)benzamide.
What is the SMILES notation for 2-amino-5-(4-cyclopropylpiperidin-1-yl)benzamide?
The canonical SMILES for 2-amino-5-(4-cyclopropylpiperidin-1-yl)benzamide is NC(=O)c1cc(N2CCC(C3CC3)CC2)ccc1N.
What is the InChIKey of 2-amino-5-(4-cyclopropylpiperidin-1-yl)benzamide?
The InChIKey is MGWJHUYZYVUDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-14-4-3-12(9-13(14)15(17)19)18-7-5-11(6-8-18)10-1-2-10/h3-4,9-11H,1-2,5-8,16H2,(H2,17,19).
What are the key properties of 2-amino-5-(4-cyclopropylpiperidin-1-yl)benzamide?
2-amino-5-(4-cyclopropylpiperidin-1-yl)benzamide has a molecular weight of 259.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-cyclopropylpiperidin-1-yl)benzamide is sourced from PubChem (CID 153382110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).