N-cyclopropyl-2-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]acetamide

C17H20F3N3O2S — CID 39465986

IUPACN-cyclopropyl-2-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2SC(F)(F)F)CC1)NC1CC1
InChIInChI=1S/C17H20F3N3O2S/c18-17(19,20)26-14-4-2-1-3-13(14)16(25)23-9-7-22(8-10-23)11-15(24)21-12-5-6-12/h1-4,12H,5-11H2,(H,21,24)
InChIKeyHZRDZQJKPBYRRX-UHFFFAOYSA-N
MW387.43 g/mol
LogP2.33
Rot. Bonds5

About N-cyclopropyl-2-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 39465986) has the molecular formula C17H20F3N3O2S and a molecular weight of 387.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID39465986
Molecular FormulaC17H20F3N3O2S
Molecular Weight387.43 g/mol
Exact Mass387.12
IUPAC NameN-cyclopropyl-2-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccccc2SC(F)(F)F)CC1)NC1CC1
InChIInChI=1S/C17H20F3N3O2S/c18-17(19,20)26-14-4-2-1-3-13(14)16(25)23-9-7-22(8-10-23)11-15(24)21-12-5-6-12/h1-4,12H,5-11H2,(H,21,24)
InChIKeyHZRDZQJKPBYRRX-UHFFFAOYSA-N
XLogP2.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 51221138
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 35372589
N-cyclopropyl-2-[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]acetamide
CID 35373996
N-cyclopropyl-2-[4-[2-(difluoromethylsulfanyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 78810204
N-cyclopropyl-2-[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 51206869
N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide
CID 51206929
N-cyclopropyl-2-[4-[2-(3,4-dimethylbenzoyl)benzoyl]piperazin-1-yl]acetamide
CID 36936549
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone
CID 55634871
N-cyclopropyl-2-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]acetamide
CID 31427575
2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 55411004
2-[4-(5-bromo-2-iodobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 31426765
N-cyclopropyl-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 86907285

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]acetamide (CID 39465986) is N-cyclopropyl-2-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2ccccc2SC(F)(F)F)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is HZRDZQJKPBYRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2S/c18-17(19,20)26-14-4-2-1-3-13(14)16(25)23-9-7-22(8-10-23)11-15(24)21-12-5-6-12/h1-4,12H,5-11H2,(H,21,24).
What are the key properties of N-cyclopropyl-2-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 387.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[2-(trifluoromethylsulfanyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 39465986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).