2,2,2-trifluoro-N-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

C24H26F4N2O — CID 172759348

IUPAC2,2,2-trifluoro-N-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESO=C(N(CN1CCC(Cc2ccc(F)cc2)CC1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H26F4N2O/c25-20-8-6-17(7-9-20)14-18-10-12-29(13-11-18)16-30(23(31)24(26,27)28)22-15-21(22)19-4-2-1-3-5-19/h1-9,18,21-22H,10-16H2/t21-,22+/m0/s1
InChIKeyLLUZDTYNUSNILC-FCHUYYIVSA-N
MW434.48 g/mol
LogP4.98
Rot. Bonds6

About 2,2,2-trifluoro-N-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

2,2,2-trifluoro-N-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (PubChem CID 172759348) has the molecular formula C24H26F4N2O and a molecular weight of 434.48 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
PubChem CID172759348
Molecular FormulaC24H26F4N2O
Molecular Weight434.48 g/mol
Exact Mass434.20
IUPAC Name2,2,2-trifluoro-N-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESO=C(N(CN1CCC(Cc2ccc(F)cc2)CC1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H26F4N2O/c25-20-8-6-17(7-9-20)14-18-10-12-29(13-11-18)16-30(23(31)24(26,27)28)22-15-21(22)19-4-2-1-3-5-19/h1-9,18,21-22H,10-16H2/t21-,22+/m0/s1
InChIKeyLLUZDTYNUSNILC-FCHUYYIVSA-N
XLogP4.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]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-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (CID 172759348) is 2,2,2-trifluoro-N-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is O=C(N(CN1CCC(Cc2ccc(F)cc2)CC1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The InChIKey is LLUZDTYNUSNILC-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H26F4N2O/c25-20-8-6-17(7-9-20)14-18-10-12-29(13-11-18)16-30(23(31)24(26,27)28)22-15-21(22)19-4-2-1-3-5-19/h1-9,18,21-22H,10-16H2/t21-,22+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
2,2,2-trifluoro-N-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide has a molecular weight of 434.48 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is sourced from PubChem (CID 172759348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).