N-[1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-yl]benzamide

C22H27FN2O2 — CID 21430567

IUPACN-[1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCCC(O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H27FN2O2/c23-19-10-8-17(9-11-19)21(26)7-4-14-25-15-12-20(13-16-25)24-22(27)18-5-2-1-3-6-18/h1-3,5-6,8-11,20-21,26H,4,7,12-16H2,(H,24,27)
InChIKeyAJVVAZFNUPMOTQ-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.53
Rot. Bonds7

About N-[1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-yl]benzamide

N-[1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-yl]benzamide (PubChem CID 21430567) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-yl]benzamide
PubChem CID21430567
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-[1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCCC(O)c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H27FN2O2/c23-19-10-8-17(9-11-19)21(26)7-4-14-25-15-12-20(13-16-25)24-22(27)18-5-2-1-3-6-18/h1-3,5-6,8-11,20-21,26H,4,7,12-16H2,(H,24,27)
InChIKeyAJVVAZFNUPMOTQ-UHFFFAOYSA-N
XLogP3.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-yl]benzamide (CID 21430567) is N-[1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-yl]benzamide is O=C(NC1CCN(CCCC(O)c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-yl]benzamide?
The InChIKey is AJVVAZFNUPMOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c23-19-10-8-17(9-11-19)21(26)7-4-14-25-15-12-20(13-16-25)24-22(27)18-5-2-1-3-6-18/h1-3,5-6,8-11,20-21,26H,4,7,12-16H2,(H,24,27).
What are the key properties of N-[1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-yl]benzamide?
N-[1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-yl]benzamide has a molecular weight of 370.47 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 21430567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).