2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide

C22H22ClF3N2O3 — CID 125011059

IUPAC2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
SMILESNC(=O)C[C@@]1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C22H22ClF3N2O3/c23-15-6-8-16(9-7-15)31-14-21(12-19(27)29)10-3-11-28(13-21)20(30)17-4-1-2-5-18(17)22(24,25)26/h1-2,4-9H,3,10-14H2,(H2,27,29)/t21-/m0/s1
InChIKeyVNLARIXLGVGJAI-NRFANRHFSA-N
MW454.88 g/mol
LogP4.54
Rot. Bonds6

About 2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide

2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide (PubChem CID 125011059) has the molecular formula C22H22ClF3N2O3 and a molecular weight of 454.88 g/mol. Its IUPAC name is 2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
PubChem CID125011059
Molecular FormulaC22H22ClF3N2O3
Molecular Weight454.88 g/mol
Exact Mass454.13
IUPAC Name2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
SMILESNC(=O)C[C@@]1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C22H22ClF3N2O3/c23-15-6-8-16(9-7-15)31-14-21(12-19(27)29)10-3-11-28(13-21)20(30)17-4-1-2-5-18(17)22(24,25)26/h1-2,4-9H,3,10-14H2,(H2,27,29)/t21-/m0/s1
InChIKeyVNLARIXLGVGJAI-NRFANRHFSA-N
XLogP4.54
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.88
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-(2-chloropyridine-3-carbonyl)piperidin-3-yl]acetamide
CID 125000182
2-[1-(4-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]acetamide
CID 110080510
2-[3-(phenoxymethyl)-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]-1-piperidin-1-ylethanone
CID 110081457
2-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]-1-piperidin-1-ylethanone
CID 125026391
2-[(3R)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]-1-piperidin-1-ylethanone
CID 124963761
2-[(3R)-1-(2-methoxybenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide
CID 124960724
2-[(3R)-3-[(4-chlorophenoxy)methyl]-1-(2-fluorobenzoyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 125025759
2-[(3S)-1-(2-chlorobenzoyl)-3-[(4-chlorophenoxy)methyl]piperidin-3-yl]-1-morpholin-4-ylethanone
CID 124978735
2-[(3R)-1-(3-chloro-4-fluorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]acetamide
CID 124944696
2-[(3S)-1-(2-bromobenzoyl)-3-[(4-chloro-3-methylphenoxy)methyl]piperidin-3-yl]acetamide
CID 124992539
2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide
CID 124960218
2-[1-(2-chlorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidin-3-yl]-1-piperidin-1-ylethanone
CID 110080234

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide (CID 125011059) is 2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide is NC(=O)C[C@@]1(COc2ccc(Cl)cc2)CCCN(C(=O)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide?
The InChIKey is VNLARIXLGVGJAI-NRFANRHFSA-N. The full InChI is InChI=1S/C22H22ClF3N2O3/c23-15-6-8-16(9-7-15)31-14-21(12-19(27)29)10-3-11-28(13-21)20(30)17-4-1-2-5-18(17)22(24,25)26/h1-2,4-9H,3,10-14H2,(H2,27,29)/t21-/m0/s1.
What are the key properties of 2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide?
2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide has a molecular weight of 454.88 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[(4-chlorophenoxy)methyl]-1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 125011059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).