2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide

C17H26FN3O2 — CID 111488179

IUPAC2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide
SMILESCC[C@@H](O)CN1CCN(CCNC(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H26FN3O2/c1-2-14(22)13-21-11-9-20(10-12-21)8-7-19-17(23)15-5-3-4-6-16(15)18/h3-6,14,22H,2,7-13H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyREGAXMNWSZEINN-CQSZACIVSA-N
MW323.41 g/mol
LogP0.94
Rot. Bonds7

About 2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide

2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide (PubChem CID 111488179) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is 2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide
PubChem CID111488179
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Name2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide
SMILESCC[C@@H](O)CN1CCN(CCNC(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H26FN3O2/c1-2-14(22)13-21-11-9-20(10-12-21)8-7-19-17(23)15-5-3-4-6-16(15)18/h3-6,14,22H,2,7-13H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyREGAXMNWSZEINN-CQSZACIVSA-N
XLogP0.94
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide
CID 120848299
N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide
CID 110444095
2-fluoro-N-[2-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethyl]benzamide
CID 133372539
2-fluoro-N-[2-hydroxy-3-[4-[2-oxo-2-(2-phenylethylamino)ethyl]piperazin-1-yl]propyl]benzamide
CID 18452677
N-[2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]ethyl]-2-fluorobenzamide;dihydrochloride
CID 120596619
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248
N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide
CID 170276492
2-fluoro-N-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 18571753
2-fluoro-N-[3-methyl-1-oxo-1-(2-piperazin-1-ylethylamino)butan-2-yl]benzamide
CID 119445980
2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide
CID 71871594
4-fluoro-2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 118913406

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide (CID 111488179) is 2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide is CC[C@@H](O)CN1CCN(CCNC(=O)c2ccccc2F)CC1.
What is the InChIKey of 2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide?
The InChIKey is REGAXMNWSZEINN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-2-14(22)13-21-11-9-20(10-12-21)8-7-19-17(23)15-5-3-4-6-16(15)18/h3-6,14,22H,2,7-13H2,1H3,(H,19,23)/t14-/m1/s1.
What are the key properties of 2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide?
2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide has a molecular weight of 323.41 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 111488179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).