2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone

C15H26F3N3O — CID 75441246

IUPAC2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN(CCC(F)(F)F)C2CCCC2)CC1
InChIInChI=1S/C15H26F3N3O/c1-19-8-10-20(11-9-19)14(22)12-21(7-6-15(16,17)18)13-4-2-3-5-13/h13H,2-12H2,1H3
InChIKeyLCCCUCHPXMCGFU-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.96
Rot. Bonds5

About 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone

2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 75441246) has the molecular formula C15H26F3N3O and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID75441246
Molecular FormulaC15H26F3N3O
Molecular Weight321.39 g/mol
Exact Mass321.20
IUPAC Name2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN(CCC(F)(F)F)C2CCCC2)CC1
InChIInChI=1S/C15H26F3N3O/c1-19-8-10-20(11-9-19)14(22)12-21(7-6-15(16,17)18)13-4-2-3-5-13/h13H,2-12H2,1H3
InChIKeyLCCCUCHPXMCGFU-UHFFFAOYSA-N
XLogP1.96
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylacetamide
CID 49853577
2-[2,2-Dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 75443707
N-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 84598921
2-[cyclopentyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 56783908
2-[Cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone
CID 71858831
N,N-dimethyl-2-[4-(trifluoromethyl)piperidin-1-yl]propanamide
CID 72115498
1-(4-Acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone
CID 75434558
N-cyclopentyl-2-(diethylamino)-N-ethylacetamide
CID 78870168
2-[3-(4,4-difluoropiperidin-1-yl)propyl-methylamino]-N-propan-2-ylacetamide
CID 132390947
1-[4-(Diethylamino)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 63821595
1-(4-Cyclopentylpiperazin-1-yl)-2,2,2-trifluoroethanone
CID 57104166
N-ethyl-2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)acetamide
CID 59870788

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone (CID 75441246) is 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CN(CCC(F)(F)F)C2CCCC2)CC1.
What is the InChIKey of 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is LCCCUCHPXMCGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O/c1-19-8-10-20(11-9-19)14(22)12-21(7-6-15(16,17)18)13-4-2-3-5-13/h13H,2-12H2,1H3.
What are the key properties of 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 321.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 75441246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).