4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide

C28H37FN4O2 — CID 118212106

IUPAC4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide
SMILESCc1c(Cc2ccc(C(=O)NO)cc2)c2ccccc2n1CCCN1CCN(CC(C)(C)F)CC1
InChIInChI=1S/C28H37FN4O2/c1-21-25(19-22-9-11-23(12-10-22)27(34)30-35)24-7-4-5-8-26(24)33(21)14-6-13-31-15-17-32(18-16-31)20-28(2,3)29/h4-5,7-12,35H,6,13-20H2,1-3H3,(H,30,34)
InChIKeyHSKFTXDGEOIWFB-UHFFFAOYSA-N
MW480.63 g/mol
LogP4.42
Rot. Bonds9

About 4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide

4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide (PubChem CID 118212106) has the molecular formula C28H37FN4O2 and a molecular weight of 480.63 g/mol. Its IUPAC name is 4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide
PubChem CID118212106
Molecular FormulaC28H37FN4O2
Molecular Weight480.63 g/mol
Exact Mass480.29
IUPAC Name4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide
SMILESCc1c(Cc2ccc(C(=O)NO)cc2)c2ccccc2n1CCCN1CCN(CC(C)(C)F)CC1
InChIInChI=1S/C28H37FN4O2/c1-21-25(19-22-9-11-23(12-10-22)27(34)30-35)24-7-4-5-8-26(24)33(21)14-6-13-31-15-17-32(18-16-31)20-28(2,3)29/h4-5,7-12,35H,6,13-20H2,1-3H3,(H,30,34)
InChIKeyHSKFTXDGEOIWFB-UHFFFAOYSA-N
XLogP4.42
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[1-[4-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]butyl]-2-methylindol-3-yl]methyl]benzamide;hydrate
CID 162335155
N-hydroxy-4-[[2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]methyl]benzamide
CID 118211713
4-[[1-[2-[3-(fluoromethyl)pyrrolidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide
CID 118211852
N-hydroxy-4-[[1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzamide
CID 118212164
4-[[5-fluoro-1-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide
CID 118211667
N-hydroxy-4-[[2-methyl-1-[[1-[(3-methyloxetan-3-yl)methyl]piperidin-4-yl]methyl]indol-3-yl]methyl]benzamide
CID 118211597
methyl 4-[[1-[2-[(3R)-4-(2-fluoro-2-methylpropyl)-3-methyl-5-methylidenepiperazin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzoate
CID 144880095
methyl 4-[[2-methyl-1-(2-piperazin-1-ylethyl)indol-3-yl]methyl]benzoate;hydrochloride
CID 118211796
methyl 4-[[1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]-2-propylindol-3-yl]methyl]benzoate
CID 118211818
methyl 4-[[1-[2-[(3S,5R)-4-(2-hydroxy-2-methylpropyl)-3,5-dimethylpiperazin-1-yl]ethyl]-2-methylindol-3-yl]methyl]benzoate
CID 118218990
methyl 4-[[2-(3,6-dihydro-2H-pyran-4-yl)-1-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]indol-3-yl]methyl]benzoate
CID 118211897
4-[[4-[[3-[[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269716

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide (CID 118212106) is 4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide is Cc1c(Cc2ccc(C(=O)NO)cc2)c2ccccc2n1CCCN1CCN(CC(C)(C)F)CC1.
What is the InChIKey of 4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide?
The InChIKey is HSKFTXDGEOIWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FN4O2/c1-21-25(19-22-9-11-23(12-10-22)27(34)30-35)24-7-4-5-8-26(24)33(21)14-6-13-31-15-17-32(18-16-31)20-28(2,3)29/h4-5,7-12,35H,6,13-20H2,1-3H3,(H,30,34).
What are the key properties of 4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide?
4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide has a molecular weight of 480.63 g/mol, XLogP of 4.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[3-[4-(2-fluoro-2-methylpropyl)piperazin-1-yl]propyl]-2-methylindol-3-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 118212106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).