N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide

C21H25FN2O2 — CID 38535028

IUPACN-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(NC[C@@H](O)c1ccc(F)cc1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H25FN2O2/c22-19-10-8-17(9-11-19)20(25)14-23-21(26)18-6-4-16(5-7-18)15-24-12-2-1-3-13-24/h4-11,20,25H,1-3,12-15H2,(H,23,26)/t20-/m1/s1
InChIKeyFTZJOLCPCLAEIY-HXUWFJFHSA-N
MW356.44 g/mol
LogP3.28
Rot. Bonds6

About N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide

N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 38535028) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID38535028
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(NC[C@@H](O)c1ccc(F)cc1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H25FN2O2/c22-19-10-8-17(9-11-19)20(25)14-23-21(26)18-6-4-16(5-7-18)15-24-12-2-1-3-13-24/h4-11,20,25H,1-3,12-15H2,(H,23,26)/t20-/m1/s1
InChIKeyFTZJOLCPCLAEIY-HXUWFJFHSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-fluorophenyl)propyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 46773438
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide
CID 110888923
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724346
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 131952254
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 25493079
5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide
CID 110888741

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide (CID 38535028) is N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide is O=C(NC[C@@H](O)c1ccc(F)cc1)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is FTZJOLCPCLAEIY-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-19-10-8-17(9-11-19)20(25)14-23-21(26)18-6-4-16(5-7-18)15-24-12-2-1-3-13-24/h4-11,20,25H,1-3,12-15H2,(H,23,26)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide?
N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 356.44 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 38535028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).