2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C23H33F3N4O3 — CID 30671216

IUPAC2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)NCc3ccccc3OC(F)(F)F)CC2)C1
InChIInChI=1S/C23H33F3N4O3/c1-17-11-18(2)14-30(13-17)22(32)16-29-9-7-28(8-10-29)15-21(31)27-12-19-5-3-4-6-20(19)33-23(24,25)26/h3-6,17-18H,7-16H2,1-2H3,(H,27,31)/t17-,18+
InChIKeyUNTFPNCDQJGZDN-HDICACEKSA-N
MW470.54 g/mol
LogP2.32
Rot. Bonds7

About 2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 30671216) has the molecular formula C23H33F3N4O3 and a molecular weight of 470.54 g/mol. Its IUPAC name is 2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID30671216
Molecular FormulaC23H33F3N4O3
Molecular Weight470.54 g/mol
Exact Mass470.25
IUPAC Name2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)NCc3ccccc3OC(F)(F)F)CC2)C1
InChIInChI=1S/C23H33F3N4O3/c1-17-11-18(2)14-30(13-17)22(32)16-29-9-7-28(8-10-29)15-21(31)27-12-19-5-3-4-6-20(19)33-23(24,25)26/h3-6,17-18H,7-16H2,1-2H3,(H,27,31)/t17-,18+
InChIKeyUNTFPNCDQJGZDN-HDICACEKSA-N
XLogP2.32
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]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-[4-(3-methylbutanoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24664292
2-(4-ethylpiperazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;formic acid
CID 154911848
N-benzyl-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30636513
N-benzyl-2-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30636504
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 35427329
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 55543337
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
2-[(4aR,8aS)-1,1-dioxo-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 100897065
2-[(4aR,8aR)-1,1-dioxo-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 100897063
2-(1,1-dioxo-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 71858505
N-(2,6-dichlorophenyl)-2-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30738788

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 30671216) is 2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)NCc3ccccc3OC(F)(F)F)CC2)C1.
What is the InChIKey of 2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is UNTFPNCDQJGZDN-HDICACEKSA-N. The full InChI is InChI=1S/C23H33F3N4O3/c1-17-11-18(2)14-30(13-17)22(32)16-29-9-7-28(8-10-29)15-21(31)27-12-19-5-3-4-6-20(19)33-23(24,25)26/h3-6,17-18H,7-16H2,1-2H3,(H,27,31)/t17-,18+.
What are the key properties of 2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 470.54 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 30671216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).