3-fluoro-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzamide

C17H24FN3O3 — CID 163076976

IUPAC3-fluoro-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzamide
SMILESCN1CCN(CC2OCC(NC(=O)c3cccc(F)c3)C2O)CC1
InChIInChI=1S/C17H24FN3O3/c1-20-5-7-21(8-6-20)10-15-16(22)14(11-24-15)19-17(23)12-3-2-4-13(18)9-12/h2-4,9,14-16,22H,5-8,10-11H2,1H3,(H,19,23)
InChIKeyQTALSXIAGPISOW-UHFFFAOYSA-N
MW337.40 g/mol
LogP-0.07
Rot. Bonds4

About 3-fluoro-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzamide

3-fluoro-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzamide (PubChem CID 163076976) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-fluoro-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzamide
PubChem CID163076976
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Name3-fluoro-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzamide
SMILESCN1CCN(CC2OCC(NC(=O)c3cccc(F)c3)C2O)CC1
InChIInChI=1S/C17H24FN3O3/c1-20-5-7-21(8-6-20)10-15-16(22)14(11-24-15)19-17(23)12-3-2-4-13(18)9-12/h2-4,9,14-16,22H,5-8,10-11H2,1H3,(H,19,23)
InChIKeyQTALSXIAGPISOW-UHFFFAOYSA-N
XLogP-0.07
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-4-hydroxyoxolan-3-yl]-3-fluorobenzamide
CID 163072842
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide
CID 125417422
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide
CID 125417244
N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide
CID 162799473
N-[(3S,4R,5S)-5-[[butyl(methyl)amino]methyl]-4-hydroxyoxolan-3-yl]-3-fluorobenzamide
CID 125416906
1-(3-chlorophenyl)-3-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]urea
CID 125416955
5-(3-fluorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]-1H-pyrazole-4-carboxamide;formic acid
CID 166599892
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide
CID 125416740
4-[(3-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223767
3-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 952383
N-[(3S,4R,5S)-4-hydroxy-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]oxolan-3-yl]cyclopropanecarboxamide
CID 125417669
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 91779153

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzamide (CID 163076976) is 3-fluoro-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzamide is CN1CCN(CC2OCC(NC(=O)c3cccc(F)c3)C2O)CC1.
What is the InChIKey of 3-fluoro-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzamide?
The InChIKey is QTALSXIAGPISOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-20-5-7-21(8-6-20)10-15-16(22)14(11-24-15)19-17(23)12-3-2-4-13(18)9-12/h2-4,9,14-16,22H,5-8,10-11H2,1H3,(H,19,23).
What are the key properties of 3-fluoro-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzamide?
3-fluoro-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzamide has a molecular weight of 337.40 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]benzamide is sourced from PubChem (CID 163076976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).