N-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

C19H18F6N4O — CID 133358312

IUPACN-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cc(C(F)(F)F)ccn2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F6N4O/c20-18(21,22)13-5-6-26-16(11-13)29-9-7-28(8-10-29)12-17(30)27-15-4-2-1-3-14(15)19(23,24)25/h1-6,11H,7-10,12H2,(H,27,30)
InChIKeyWTLLRESTPVSJDC-UHFFFAOYSA-N
MW432.37 g/mol
LogP3.88
Rot. Bonds4

About N-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

N-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (PubChem CID 133358312) has the molecular formula C19H18F6N4O and a molecular weight of 432.37 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
PubChem CID133358312
Molecular FormulaC19H18F6N4O
Molecular Weight432.37 g/mol
Exact Mass432.14
IUPAC NameN-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cc(C(F)(F)F)ccn2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H18F6N4O/c20-18(21,22)13-5-6-26-16(11-13)29-9-7-28(8-10-29)12-17(30)27-15-4-2-1-3-14(15)19(23,24)25/h1-6,11H,7-10,12H2,(H,27,30)
InChIKeyWTLLRESTPVSJDC-UHFFFAOYSA-N
XLogP3.88
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(trifluoromethyl)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199190
2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetic acid
CID 66329032
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 17425103
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3236086
2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27849419
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39777880
2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694
N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 9348957
2-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 133382760
N-(2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466887
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30963766

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (CID 133358312) is N-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is O=C(CN1CCN(c2cc(C(F)(F)F)ccn2)CC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The InChIKey is WTLLRESTPVSJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6N4O/c20-18(21,22)13-5-6-26-16(11-13)29-9-7-28(8-10-29)12-17(30)27-15-4-2-1-3-14(15)19(23,24)25/h1-6,11H,7-10,12H2,(H,27,30).
What are the key properties of N-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
N-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide has a molecular weight of 432.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 133358312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).