N-[5-[2-[4-acetyl-3-(trifluoromethyl)piperazin-1-yl]propyl]-1-propan-2-ylpiperidin-3-yl]-N-methylacetamide

C21H37F3N4O2 — CID 170264284

IUPACN-[5-[2-[4-acetyl-3-(trifluoromethyl)piperazin-1-yl]propyl]-1-propan-2-ylpiperidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CC(CC(C)N2CCN(C(C)=O)C(C(F)(F)F)C2)CN(C(C)C)C1
InChIInChI=1S/C21H37F3N4O2/c1-14(2)27-11-18(10-19(12-27)25(6)16(4)29)9-15(3)26-7-8-28(17(5)30)20(13-26)21(22,23)24/h14-15,18-20H,7-13H2,1-6H3
InChIKeyHRMSHXNVXSHIES-UHFFFAOYSA-N
MW434.55 g/mol
LogP2.44
Rot. Bonds5

About N-[5-[2-[4-acetyl-3-(trifluoromethyl)piperazin-1-yl]propyl]-1-propan-2-ylpiperidin-3-yl]-N-methylacetamide

N-[5-[2-[4-acetyl-3-(trifluoromethyl)piperazin-1-yl]propyl]-1-propan-2-ylpiperidin-3-yl]-N-methylacetamide (PubChem CID 170264284) has the molecular formula C21H37F3N4O2 and a molecular weight of 434.55 g/mol. Its IUPAC name is N-[5-[2-[4-acetyl-3-(trifluoromethyl)piperazin-1-yl]propyl]-1-propan-2-ylpiperidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[5-[2-[4-acetyl-3-(trifluoromethyl)piperazin-1-yl]propyl]-1-propan-2-ylpiperidin-3-yl]-N-methylacetamide
PubChem CID170264284
Molecular FormulaC21H37F3N4O2
Molecular Weight434.55 g/mol
Exact Mass434.29
IUPAC NameN-[5-[2-[4-acetyl-3-(trifluoromethyl)piperazin-1-yl]propyl]-1-propan-2-ylpiperidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CC(CC(C)N2CCN(C(C)=O)C(C(F)(F)F)C2)CN(C(C)C)C1
InChIInChI=1S/C21H37F3N4O2/c1-14(2)27-11-18(10-19(12-27)25(6)16(4)29)9-15(3)26-7-8-28(17(5)30)20(13-26)21(22,23)24/h14-15,18-20H,7-13H2,1-6H3
InChIKeyHRMSHXNVXSHIES-UHFFFAOYSA-N
XLogP2.44
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 100740257
2-(4-acetylpiperazin-1-yl)-N-ethyl-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 49854193
N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 91511901
(3S)-1-[(2S)-1-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one
CID 138685871
(3S)-1-[1-[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methyl-3-(2-methylpropyl)piperazin-2-one
CID 138685873
1-[4-[(1-Butan-2-yl-4-fluoropiperidin-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 166113225
2,2,2-Trifluoro-1-[4-[1-[2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopropyl]propan-2-yl]piperazin-1-yl]ethanone
CID 169686037
1-[4-[(4-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 172114702
1-[4-Fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 172114728
1-[4-[3,3-Difluoro-1-[4-(2-methylbutyl)cyclohexyl]piperidin-4-yl]piperazin-1-yl]butan-1-one
CID 176558121
1-[4-[1-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane
CID 176558181
1-[4-[3,3-Difluoro-1-(3-methylbutyl)piperidin-4-yl]piperazin-1-yl]propan-1-one;ethane
CID 176558284

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[4-acetyl-3-(trifluoromethyl)piperazin-1-yl]propyl]-1-propan-2-ylpiperidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[5-[2-[4-acetyl-3-(trifluoromethyl)piperazin-1-yl]propyl]-1-propan-2-ylpiperidin-3-yl]-N-methylacetamide (CID 170264284) is N-[5-[2-[4-acetyl-3-(trifluoromethyl)piperazin-1-yl]propyl]-1-propan-2-ylpiperidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[5-[2-[4-acetyl-3-(trifluoromethyl)piperazin-1-yl]propyl]-1-propan-2-ylpiperidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[5-[2-[4-acetyl-3-(trifluoromethyl)piperazin-1-yl]propyl]-1-propan-2-ylpiperidin-3-yl]-N-methylacetamide is CC(=O)N(C)C1CC(CC(C)N2CCN(C(C)=O)C(C(F)(F)F)C2)CN(C(C)C)C1.
What is the InChIKey of N-[5-[2-[4-acetyl-3-(trifluoromethyl)piperazin-1-yl]propyl]-1-propan-2-ylpiperidin-3-yl]-N-methylacetamide?
The InChIKey is HRMSHXNVXSHIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37F3N4O2/c1-14(2)27-11-18(10-19(12-27)25(6)16(4)29)9-15(3)26-7-8-28(17(5)30)20(13-26)21(22,23)24/h14-15,18-20H,7-13H2,1-6H3.
What are the key properties of N-[5-[2-[4-acetyl-3-(trifluoromethyl)piperazin-1-yl]propyl]-1-propan-2-ylpiperidin-3-yl]-N-methylacetamide?
N-[5-[2-[4-acetyl-3-(trifluoromethyl)piperazin-1-yl]propyl]-1-propan-2-ylpiperidin-3-yl]-N-methylacetamide has a molecular weight of 434.55 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[4-acetyl-3-(trifluoromethyl)piperazin-1-yl]propyl]-1-propan-2-ylpiperidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 170264284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).