N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide

C13H18F3N5O — CID 175401746

IUPACN-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H18F3N5O/c1-10(22)17-2-3-20-4-6-21(7-5-20)12-18-8-11(9-19-12)13(14,15)16/h8-9H,2-7H2,1H3,(H,17,22)
InChIKeyKEHSVMRFRTWFCC-UHFFFAOYSA-N
MW317.31 g/mol
LogP0.75
Rot. Bonds4

About N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide

N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide (PubChem CID 175401746) has the molecular formula C13H18F3N5O and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide
PubChem CID175401746
Molecular FormulaC13H18F3N5O
Molecular Weight317.31 g/mol
Exact Mass317.15
IUPAC NameN-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H18F3N5O/c1-10(22)17-2-3-20-4-6-21(7-5-20)12-18-8-11(9-19-12)13(14,15)16/h8-9H,2-7H2,1H3,(H,17,22)
InChIKeyKEHSVMRFRTWFCC-UHFFFAOYSA-N
XLogP0.75
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butan-1-amine
CID 170171938
4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 171778967
(Z)-but-2-enedioic acid;N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]acetamide
CID 15942812
4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
CID 129105303
3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;hydrochloride
CID 171493025
3-[[(2S)-2-hydroxypropyl]amino]-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 146218844
2-(4-benzylpiperazin-1-yl)-5-(trifluoromethyl)pyrimidine
CID 46838882
2-methyl-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111295854
3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide
CID 118761818
N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 154512497
phenyl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 171778996
N-[2-[4-[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]acetamide
CID 24735957

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide (CID 175401746) is N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide?
The InChIKey is KEHSVMRFRTWFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5O/c1-10(22)17-2-3-20-4-6-21(7-5-20)12-18-8-11(9-19-12)13(14,15)16/h8-9H,2-7H2,1H3,(H,17,22).
What are the key properties of N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide?
N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide has a molecular weight of 317.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 175401746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).