2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone

C19H34N6O — CID 46997089

IUPAC2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone
SMILESCCN(Cc1cn(C2CCN(C(=O)CN)CC2)nn1)C1CCCCCC1
InChIInChI=1S/C19H34N6O/c1-2-23(17-7-5-3-4-6-8-17)14-16-15-25(22-21-16)18-9-11-24(12-10-18)19(26)13-20/h15,17-18H,2-14,20H2,1H3
InChIKeyBGGQMOJVGUYRQG-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.95
Rot. Bonds6

About 2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone

2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 46997089) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone
PubChem CID46997089
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC Name2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone
SMILESCCN(Cc1cn(C2CCN(C(=O)CN)CC2)nn1)C1CCCCCC1
InChIInChI=1S/C19H34N6O/c1-2-23(17-7-5-3-4-6-8-17)14-16-15-25(22-21-16)18-9-11-24(12-10-18)19(26)13-20/h15,17-18H,2-14,20H2,1H3
InChIKeyBGGQMOJVGUYRQG-UHFFFAOYSA-N
XLogP1.95
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone 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-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone (CID 46997089) is 2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone is CCN(Cc1cn(C2CCN(C(=O)CN)CC2)nn1)C1CCCCCC1.
What is the InChIKey of 2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is BGGQMOJVGUYRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O/c1-2-23(17-7-5-3-4-6-8-17)14-16-15-25(22-21-16)18-9-11-24(12-10-18)19(26)13-20/h15,17-18H,2-14,20H2,1H3.
What are the key properties of 2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone?
2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 362.52 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 46997089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).