2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide

C22H30F3N3O2 — CID 46024137

IUPAC2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCCN(C)C(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H30F3N3O2/c1-3-26(2)21(30)19(16-6-4-5-7-16)27-12-14-28(15-13-27)20(29)17-8-10-18(11-9-17)22(23,24)25/h8-11,16,19H,3-7,12-15H2,1-2H3
InChIKeyFIVWPQDJQDSTOQ-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.50
Rot. Bonds5

About 2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide

2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 46024137) has the molecular formula C22H30F3N3O2 and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID46024137
Molecular FormulaC22H30F3N3O2
Molecular Weight425.50 g/mol
Exact Mass425.23
IUPAC Name2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCCN(C)C(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H30F3N3O2/c1-3-26(2)21(30)19(16-6-4-5-7-16)27-12-14-28(15-13-27)20(29)17-8-10-18(11-9-17)22(23,24)25/h8-11,16,19H,3-7,12-15H2,1-2H3
InChIKeyFIVWPQDJQDSTOQ-UHFFFAOYSA-N
XLogP3.50
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-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

N-benzyl-2-cyclopentyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 42842360
2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide
CID 46024140
(2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93210339
(2S)-2-cyclopentyl-N-ethyl-N-methyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93208773
2-cyclopentyl-N-(2-piperidin-1-ylethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 46024581
N-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 42842361
(2S)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-methyl-N-propylacetamide
CID 93208612
(2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 93208786
(2R)-2-cyclopentyl-N-(3,5-dimethoxyphenyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93221901
(2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93210467
1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone
CID 42842330
(2R)-2-cyclopentyl-N,N-diethyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93208283

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (CID 46024137) is 2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is CCN(C)C(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is FIVWPQDJQDSTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F3N3O2/c1-3-26(2)21(30)19(16-6-4-5-7-16)27-12-14-28(15-13-27)20(29)17-8-10-18(11-9-17)22(23,24)25/h8-11,16,19H,3-7,12-15H2,1-2H3.
What are the key properties of 2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 425.50 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 46024137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).