N-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide

C17H20F3N3O3 — CID 55741672

IUPACN-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
SMILESO=C(NC1CC1)C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H20F3N3O3/c18-17(19,20)26-14-5-1-12(2-6-14)11-22-7-9-23(10-8-22)16(25)15(24)21-13-3-4-13/h1-2,5-6,13H,3-4,7-11H2,(H,21,24)
InChIKeyKLBLSJAOIIKDII-UHFFFAOYSA-N
MW371.36 g/mol
LogP1.51
Rot. Bonds4

About N-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide (PubChem CID 55741672) has the molecular formula C17H20F3N3O3 and a molecular weight of 371.36 g/mol. Its IUPAC name is N-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
PubChem CID55741672
Molecular FormulaC17H20F3N3O3
Molecular Weight371.36 g/mol
Exact Mass371.15
IUPAC NameN-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
SMILESO=C(NC1CC1)C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H20F3N3O3/c18-17(19,20)26-14-5-1-12(2-6-14)11-22-7-9-23(10-8-22)16(25)15(24)21-13-3-4-13/h1-2,5-6,13H,3-4,7-11H2,(H,21,24)
InChIKeyKLBLSJAOIIKDII-UHFFFAOYSA-N
XLogP1.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[4-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperazin-1-yl]-2-oxoacetamide
CID 49230244
2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide
CID 163352811
N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 155353721
1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 86928582
oxolan-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 51126733
2-(1,1-dioxothiolan-3-yl)-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 55599995
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147
1-[3-oxo-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 47025565
ethane;1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 90733645
2-[4-(cyclopropylcarbamothioyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7516305
tert-butyl N-[3-oxo-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propyl]carbamate
CID 37358995
2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid
CID 177337432

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide (CID 55741672) is N-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide is O=C(NC1CC1)C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide?
The InChIKey is KLBLSJAOIIKDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O3/c18-17(19,20)26-14-5-1-12(2-6-14)11-22-7-9-23(10-8-22)16(25)15(24)21-13-3-4-13/h1-2,5-6,13H,3-4,7-11H2,(H,21,24).
What are the key properties of N-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide?
N-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide has a molecular weight of 371.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55741672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).