N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide

C23H28F3N3O — CID 86861004

IUPACN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
SMILESCc1ccccc1CN1CCC(NC(=O)CNC(c2ccccc2)C(F)(F)F)CC1
InChIInChI=1S/C23H28F3N3O/c1-17-7-5-6-10-19(17)16-29-13-11-20(12-14-29)28-21(30)15-27-22(23(24,25)26)18-8-3-2-4-9-18/h2-10,20,22,27H,11-16H2,1H3,(H,28,30)
InChIKeyKMMOKJNYRXQGOV-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.97
Rot. Bonds7

About N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide (PubChem CID 86861004) has the molecular formula C23H28F3N3O and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
PubChem CID86861004
Molecular FormulaC23H28F3N3O
Molecular Weight419.49 g/mol
Exact Mass419.22
IUPAC NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
SMILESCc1ccccc1CN1CCC(NC(=O)CNC(c2ccccc2)C(F)(F)F)CC1
InChIInChI=1S/C23H28F3N3O/c1-17-7-5-6-10-19(17)16-29-13-11-20(12-14-29)28-21(30)15-27-22(23(24,25)26)18-8-3-2-4-9-18/h2-10,20,22,27H,11-16H2,1H3,(H,28,30)
InChIKeyKMMOKJNYRXQGOV-UHFFFAOYSA-N
XLogP3.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide with MolForge

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Related Compounds

2-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
CID 55911896
N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]acetamide
CID 95932398
N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 55753716
2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 87020158
2-[(Z)-(1-amino-2-methylpropylidene)amino]oxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 167988186
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 136577829
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 55754018
N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 11793930
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346
1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea
CID 110910101
2-(2,5-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 78901882
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 55973375

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide (CID 86861004) is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide is Cc1ccccc1CN1CCC(NC(=O)CNC(c2ccccc2)C(F)(F)F)CC1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide?
The InChIKey is KMMOKJNYRXQGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O/c1-17-7-5-6-10-19(17)16-29-13-11-20(12-14-29)28-21(30)15-27-22(23(24,25)26)18-8-3-2-4-9-18/h2-10,20,22,27H,11-16H2,1H3,(H,28,30).
What are the key properties of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide?
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide has a molecular weight of 419.49 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide is sourced from PubChem (CID 86861004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).