2-amino-1-piperidin-1-yl-3-(2H-triazol-4-yl)propan-1-one

C10H17N5O — CID 70930898

IUPAC2-amino-1-piperidin-1-yl-3-(2H-triazol-4-yl)propan-1-one
SMILESNC(Cc1cn[nH]n1)C(=O)N1CCCCC1
InChIInChI=1S/C10H17N5O/c11-9(6-8-7-12-14-13-8)10(16)15-4-2-1-3-5-15/h7,9H,1-6,11H2,(H,12,13,14)
InChIKeyVSSLTQAITNXGLK-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.31
Rot. Bonds3

About 2-amino-1-piperidin-1-yl-3-(2H-triazol-4-yl)propan-1-one

2-amino-1-piperidin-1-yl-3-(2H-triazol-4-yl)propan-1-one (PubChem CID 70930898) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-amino-1-piperidin-1-yl-3-(2H-triazol-4-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-piperidin-1-yl-3-(2H-triazol-4-yl)propan-1-one
PubChem CID70930898
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-amino-1-piperidin-1-yl-3-(2H-triazol-4-yl)propan-1-one
SMILESNC(Cc1cn[nH]n1)C(=O)N1CCCCC1
InChIInChI=1S/C10H17N5O/c11-9(6-8-7-12-14-13-8)10(16)15-4-2-1-3-5-15/h7,9H,1-6,11H2,(H,12,13,14)
InChIKeyVSSLTQAITNXGLK-UHFFFAOYSA-N
XLogP-0.31
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-piperidin-1-yl-3-(2H-triazol-4-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-piperidin-1-yl-3-(2H-triazol-4-yl)propan-1-one?
The IUPAC name of 2-amino-1-piperidin-1-yl-3-(2H-triazol-4-yl)propan-1-one (CID 70930898) is 2-amino-1-piperidin-1-yl-3-(2H-triazol-4-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-piperidin-1-yl-3-(2H-triazol-4-yl)propan-1-one?
The canonical SMILES for 2-amino-1-piperidin-1-yl-3-(2H-triazol-4-yl)propan-1-one is NC(Cc1cn[nH]n1)C(=O)N1CCCCC1.
What is the InChIKey of 2-amino-1-piperidin-1-yl-3-(2H-triazol-4-yl)propan-1-one?
The InChIKey is VSSLTQAITNXGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c11-9(6-8-7-12-14-13-8)10(16)15-4-2-1-3-5-15/h7,9H,1-6,11H2,(H,12,13,14).
What are the key properties of 2-amino-1-piperidin-1-yl-3-(2H-triazol-4-yl)propan-1-one?
2-amino-1-piperidin-1-yl-3-(2H-triazol-4-yl)propan-1-one has a molecular weight of 223.28 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-piperidin-1-yl-3-(2H-triazol-4-yl)propan-1-one is sourced from PubChem (CID 70930898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).