N-(3-fluorophenyl)-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide

C21H25FN2O2 — CID 95138127

IUPACN-(3-fluorophenyl)-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(CN2CCCC[C@H]2CCO)cc1
InChIInChI=1S/C21H25FN2O2/c22-18-4-3-5-19(14-18)23-21(26)17-9-7-16(8-10-17)15-24-12-2-1-6-20(24)11-13-25/h3-5,7-10,14,20,25H,1-2,6,11-13,15H2,(H,23,26)/t20-/m0/s1
InChIKeyUUSZVBXCSZIYIN-FQEVSTJZSA-N
MW356.44 g/mol
LogP3.81
Rot. Bonds6

About N-(3-fluorophenyl)-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide

N-(3-fluorophenyl)-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide (PubChem CID 95138127) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide
PubChem CID95138127
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-(3-fluorophenyl)-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(CN2CCCC[C@H]2CCO)cc1
InChIInChI=1S/C21H25FN2O2/c22-18-4-3-5-19(14-18)23-21(26)17-9-7-16(8-10-17)15-24-12-2-1-6-20(24)11-13-25/h3-5,7-10,14,20,25H,1-2,6,11-13,15H2,(H,23,26)/t20-/m0/s1
InChIKeyUUSZVBXCSZIYIN-FQEVSTJZSA-N
XLogP3.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 19062870
N-(3-fluorophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 674229
2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
CID 105345630
N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide
CID 110295195
3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid
CID 62217691
N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide
CID 50980549
N-(3-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62736577
2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 113345056
N-(3-fluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62046362
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110881552
4-[(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)methyl]-N-(3-fluorophenyl)benzamide
CID 53135422
5-(2-ethylpiperidin-1-yl)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109288653

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide?
The IUPAC name of N-(3-fluorophenyl)-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide (CID 95138127) is N-(3-fluorophenyl)-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-(3-fluorophenyl)-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide is O=C(Nc1cccc(F)c1)c1ccc(CN2CCCC[C@H]2CCO)cc1.
What is the InChIKey of N-(3-fluorophenyl)-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide?
The InChIKey is UUSZVBXCSZIYIN-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-18-4-3-5-19(14-18)23-21(26)17-9-7-16(8-10-17)15-24-12-2-1-6-20(24)11-13-25/h3-5,7-10,14,20,25H,1-2,6,11-13,15H2,(H,23,26)/t20-/m0/s1.
What are the key properties of N-(3-fluorophenyl)-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide?
N-(3-fluorophenyl)-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide has a molecular weight of 356.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 95138127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).