4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide

C22H27FN2O2 — CID 91841476

IUPAC4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
SMILESO=C(NCCCN1CCCC(CO)C1)c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C22H27FN2O2/c23-21-6-1-5-20(14-21)18-7-9-19(10-8-18)22(27)24-11-3-13-25-12-2-4-17(15-25)16-26/h1,5-10,14,17,26H,2-4,11-13,15-16H2,(H,24,27)
InChIKeyPILUBWBXVAAGTL-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.32
Rot. Bonds7

About 4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide

4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide (PubChem CID 91841476) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
PubChem CID91841476
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
SMILESO=C(NCCCN1CCCC(CO)C1)c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C22H27FN2O2/c23-21-6-1-5-20(14-21)18-7-9-19(10-8-18)22(27)24-11-3-13-25-12-2-4-17(15-25)16-26/h1,5-10,14,17,26H,2-4,11-13,15-16H2,(H,24,27)
InChIKeyPILUBWBXVAAGTL-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-fluorophenyl)-N-[3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 124754991
1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 118780803
(3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 125172984
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 126428240
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239780
3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 78878509
4-fluoro-N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]benzamide
CID 110903798
2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 131951666
4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 125170855
[4-(3-fluorophenyl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 71032297
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]quinoline-6-carboxamide
CID 124754325
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 50826704

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide?
The IUPAC name of 4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide (CID 91841476) is 4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide is O=C(NCCCN1CCCC(CO)C1)c1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of 4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide?
The InChIKey is PILUBWBXVAAGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c23-21-6-1-5-20(14-21)18-7-9-19(10-8-18)22(27)24-11-3-13-25-12-2-4-17(15-25)16-26/h1,5-10,14,17,26H,2-4,11-13,15-16H2,(H,24,27).
What are the key properties of 4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide?
4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide has a molecular weight of 370.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 91841476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).