3-amino-4-piperidin-1-ylbenzamide

C12H17N3O — CID 2060063

IUPAC3-amino-4-piperidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(N)c1
InChIInChI=1S/C12H17N3O/c13-10-8-9(12(14)16)4-5-11(10)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,13H2,(H2,14,16)
InChIKeyPMPIUPQQXZIRFH-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.36
Rot. Bonds2

About 3-amino-4-piperidin-1-ylbenzamide

3-amino-4-piperidin-1-ylbenzamide (PubChem CID 2060063) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-amino-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-piperidin-1-ylbenzamide
PubChem CID2060063
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-amino-4-piperidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(N)c1
InChIInChI=1S/C12H17N3O/c13-10-8-9(12(14)16)4-5-11(10)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,13H2,(H2,14,16)
InChIKeyPMPIUPQQXZIRFH-UHFFFAOYSA-N
XLogP1.36
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.36
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 3-amino-4-piperidin-1-ylbenzamide?
The IUPAC name of 3-amino-4-piperidin-1-ylbenzamide (CID 2060063) is 3-amino-4-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-amino-4-piperidin-1-ylbenzamide?
The canonical SMILES for 3-amino-4-piperidin-1-ylbenzamide is NC(=O)c1ccc(N2CCCCC2)c(N)c1.
What is the InChIKey of 3-amino-4-piperidin-1-ylbenzamide?
The InChIKey is PMPIUPQQXZIRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-10-8-9(12(14)16)4-5-11(10)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,13H2,(H2,14,16).
What are the key properties of 3-amino-4-piperidin-1-ylbenzamide?
3-amino-4-piperidin-1-ylbenzamide has a molecular weight of 219.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 2060063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).