2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C18H23F6N3O3 — CID 60567807

IUPAC2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCN(CCCOCC(F)(F)F)CC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H23F6N3O3/c19-17(20,21)13-29-11-1-6-26-7-9-27(10-8-26)12-16(28)25-14-2-4-15(5-3-14)30-18(22,23)24/h2-5H,1,6-13H2,(H,25,28)
InChIKeyMPUBUSLNGNEQRD-UHFFFAOYSA-N
MW443.39 g/mol
LogP3.11
Rot. Bonds9

About 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 60567807) has the molecular formula C18H23F6N3O3 and a molecular weight of 443.39 g/mol. Its IUPAC name is 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID60567807
Molecular FormulaC18H23F6N3O3
Molecular Weight443.39 g/mol
Exact Mass443.16
IUPAC Name2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CN1CCN(CCCOCC(F)(F)F)CC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H23F6N3O3/c19-17(20,21)13-29-11-1-6-26-7-9-27(10-8-26)12-16(28)25-14-2-4-15(5-3-14)30-18(22,23)24/h2-5H,1,6-13H2,(H,25,28)
InChIKeyMPUBUSLNGNEQRD-UHFFFAOYSA-N
XLogP3.11
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
N-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]acetamide;hydrochloride
CID 90485169
N-(2-fluorophenyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]acetamide
CID 86846956
2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8804725
2-[4-(4-methylbenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020888
2-[4-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29164788
N-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide
CID 9435405
2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 43017485
2-[4-(4-aminobutanoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 119833580
3-[2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]ethylsulfonyl]propanamide
CID 22109362
2-[4-[2-(3-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29164778
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9129907

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 60567807) is 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CN1CCN(CCCOCC(F)(F)F)CC1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is MPUBUSLNGNEQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F6N3O3/c19-17(20,21)13-29-11-1-6-26-7-9-27(10-8-26)12-16(28)25-14-2-4-15(5-3-14)30-18(22,23)24/h2-5H,1,6-13H2,(H,25,28).
What are the key properties of 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 443.39 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 60567807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).