[3-(aminomethyl)-3-fluorocyclobutyl]-[2-(triazol-1-ylmethyl)piperidin-1-yl]methanone

C14H22FN5O — CID 166276997

IUPAC[3-(aminomethyl)-3-fluorocyclobutyl]-[2-(triazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESNCC1(F)CC(C(=O)N2CCCCC2Cn2ccnn2)C1
InChIInChI=1S/C14H22FN5O/c15-14(10-16)7-11(8-14)13(21)20-5-2-1-3-12(20)9-19-6-4-17-18-19/h4,6,11-12H,1-3,5,7-10,16H2
InChIKeyONAVVOJAFUFCOF-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.74
Rot. Bonds4

About [3-(aminomethyl)-3-fluorocyclobutyl]-[2-(triazol-1-ylmethyl)piperidin-1-yl]methanone

[3-(aminomethyl)-3-fluorocyclobutyl]-[2-(triazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 166276997) has the molecular formula C14H22FN5O and a molecular weight of 295.36 g/mol. Its IUPAC name is [3-(aminomethyl)-3-fluorocyclobutyl]-[2-(triazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-fluorocyclobutyl]-[2-(triazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID166276997
Molecular FormulaC14H22FN5O
Molecular Weight295.36 g/mol
Exact Mass295.18
IUPAC Name[3-(aminomethyl)-3-fluorocyclobutyl]-[2-(triazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESNCC1(F)CC(C(=O)N2CCCCC2Cn2ccnn2)C1
InChIInChI=1S/C14H22FN5O/c15-14(10-16)7-11(8-14)13(21)20-5-2-1-3-12(20)9-19-6-4-17-18-19/h4,6,11-12H,1-3,5,7-10,16H2
InChIKeyONAVVOJAFUFCOF-UHFFFAOYSA-N
XLogP0.74
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(aminomethyl)-3-fluorocyclobutyl]-[2-(triazol-1-ylmethyl)piperidin-1-yl]methanone 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 [3-(aminomethyl)-3-fluorocyclobutyl]-[2-(triazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(aminomethyl)-3-fluorocyclobutyl]-[2-(triazol-1-ylmethyl)piperidin-1-yl]methanone (CID 166276997) is [3-(aminomethyl)-3-fluorocyclobutyl]-[2-(triazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)-3-fluorocyclobutyl]-[2-(triazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(aminomethyl)-3-fluorocyclobutyl]-[2-(triazol-1-ylmethyl)piperidin-1-yl]methanone is NCC1(F)CC(C(=O)N2CCCCC2Cn2ccnn2)C1.
What is the InChIKey of [3-(aminomethyl)-3-fluorocyclobutyl]-[2-(triazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is ONAVVOJAFUFCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5O/c15-14(10-16)7-11(8-14)13(21)20-5-2-1-3-12(20)9-19-6-4-17-18-19/h4,6,11-12H,1-3,5,7-10,16H2.
What are the key properties of [3-(aminomethyl)-3-fluorocyclobutyl]-[2-(triazol-1-ylmethyl)piperidin-1-yl]methanone?
[3-(aminomethyl)-3-fluorocyclobutyl]-[2-(triazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 295.36 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-fluorocyclobutyl]-[2-(triazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 166276997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).