2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]-6-oxohexyl]acetamide

C15H25F3N2O3 — CID 140837338

IUPAC2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]-6-oxohexyl]acetamide
SMILES[3H]CC1(CO)CCN(C(=O)CCCCCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O3/c1-14(11-21)6-9-20(10-7-14)12(22)5-3-2-4-8-19-13(23)15(16,17)18/h21H,2-11H2,1H3,(H,19,23)/i1T
InChIKeyMUDHQJQGZGDMKV-CNRUNOGKSA-N
MW340.38 g/mol
LogP1.85
Rot. Bonds8

About 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]-6-oxohexyl]acetamide

2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]-6-oxohexyl]acetamide (PubChem CID 140837338) has the molecular formula C15H25F3N2O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]-6-oxohexyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]-6-oxohexyl]acetamide
PubChem CID140837338
Molecular FormulaC15H25F3N2O3
Molecular Weight340.38 g/mol
Exact Mass340.19
IUPAC Name2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]-6-oxohexyl]acetamide
SMILES[3H]CC1(CO)CCN(C(=O)CCCCCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H25F3N2O3/c1-14(11-21)6-9-20(10-7-14)12(22)5-3-2-4-8-19-13(23)15(16,17)18/h21H,2-11H2,1H3,(H,19,23)/i1T
InChIKeyMUDHQJQGZGDMKV-CNRUNOGKSA-N
XLogP1.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]-6-oxohexyl]acetamide 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 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]-6-oxohexyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]-6-oxohexyl]acetamide (CID 140837338) is 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]-6-oxohexyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]-6-oxohexyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]-6-oxohexyl]acetamide is [3H]CC1(CO)CCN(C(=O)CCCCCNC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]-6-oxohexyl]acetamide?
The InChIKey is MUDHQJQGZGDMKV-CNRUNOGKSA-N. The full InChI is InChI=1S/C15H25F3N2O3/c1-14(11-21)6-9-20(10-7-14)12(22)5-3-2-4-8-19-13(23)15(16,17)18/h21H,2-11H2,1H3,(H,19,23)/i1T.
What are the key properties of 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]-6-oxohexyl]acetamide?
2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]-6-oxohexyl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[6-[4-(hydroxymethyl)-4-(tritiomethyl)piperidin-1-yl]-6-oxohexyl]acetamide is sourced from PubChem (CID 140837338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).