4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide

C18H26F3N3O2 — CID 135269852

IUPAC4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
SMILESCC1CN(Cc2ccc(C(=O)NO)cc2)CC(C)N1CCCC(F)(F)F
InChIInChI=1S/C18H26F3N3O2/c1-13-10-23(11-14(2)24(13)9-3-8-18(19,20)21)12-15-4-6-16(7-5-15)17(25)22-26/h4-7,13-14,26H,3,8-12H2,1-2H3,(H,22,25)
InChIKeyDLZXLHAUMXPNKG-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.04
Rot. Bonds6

About 4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide

4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 135269852) has the molecular formula C18H26F3N3O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
PubChem CID135269852
Molecular FormulaC18H26F3N3O2
Molecular Weight373.42 g/mol
Exact Mass373.20
IUPAC Name4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
SMILESCC1CN(Cc2ccc(C(=O)NO)cc2)CC(C)N1CCCC(F)(F)F
InChIInChI=1S/C18H26F3N3O2/c1-13-10-23(11-14(2)24(13)9-3-8-18(19,20)21)12-15-4-6-16(7-5-15)17(25)22-26/h4-7,13-14,26H,3,8-12H2,1-2H3,(H,22,25)
InChIKeyDLZXLHAUMXPNKG-UHFFFAOYSA-N
XLogP3.04
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(3S,5R)-3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]benzoic acid
CID 135259907
4-[(4-ethyl-3,5-dimethylpiperazin-1-yl)methyl]-N-hydroxybenzamide
CID 135269533
4-[[(3S,5R)-3,5-dimethyl-4-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367172
4-[[4-(2,2-dimethylpropanoyl)-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269624
4-[[(3R,5S)-4-butyl-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135259883
4-[[2,6-dimethyl-4-(3-methylbutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269492
4-[[4-[[3-[[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269716
4-[[(3S,5R)-3,5-dimethyl-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367461
4-[[4-[[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 144920782
4-[[3,5-dimethyl-4-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269674
N-hydroxy-4-[[(3R,5S)-4-[5-[4-[[(3R,5S)-4-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-methylanilino]-3-methylpentyl]-3,5-dimethylpiperazin-1-yl]methyl]benzamide
CID 144920738
4-[[3,5-dimethyl-4-[[2-[1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269730

Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide (CID 135269852) is 4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide is CC1CN(Cc2ccc(C(=O)NO)cc2)CC(C)N1CCCC(F)(F)F.
What is the InChIKey of 4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is DLZXLHAUMXPNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O2/c1-13-10-23(11-14(2)24(13)9-3-8-18(19,20)21)12-15-4-6-16(7-5-15)17(25)22-26/h4-7,13-14,26H,3,8-12H2,1-2H3,(H,22,25).
What are the key properties of 4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide?
4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 373.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-dimethyl-4-(4,4,4-trifluorobutyl)piperazin-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 135269852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).