4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide

C15H21FN2O3 — CID 125170855

IUPAC4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide
SMILESO=C(NCCCN1CCC[C@@H](O)C1)c1ccc(F)c(O)c1
InChIInChI=1S/C15H21FN2O3/c16-13-5-4-11(9-14(13)20)15(21)17-6-2-8-18-7-1-3-12(19)10-18/h4-5,9,12,19-20H,1-3,6-8,10H2,(H,17,21)/t12-/m1/s1
InChIKeyKEOFEBXBNFXABP-GFCCVEGCSA-N
MW296.34 g/mol
LogP1.11
Rot. Bonds5

About 4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide

4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide (PubChem CID 125170855) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide
PubChem CID125170855
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide
SMILESO=C(NCCCN1CCC[C@@H](O)C1)c1ccc(F)c(O)c1
InChIInChI=1S/C15H21FN2O3/c16-13-5-4-11(9-14(13)20)15(21)17-6-2-8-18-7-1-3-12(19)10-18/h4-5,9,12,19-20H,1-3,6-8,10H2,(H,17,21)/t12-/m1/s1
InChIKeyKEOFEBXBNFXABP-GFCCVEGCSA-N
XLogP1.11
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 119064664
3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 95873193
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide
CID 142245443
4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 126436627
3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 125444247
4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 62682209
N-[3-(3-hydroxypiperidin-1-yl)propyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
CID 45229950
4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 91841476
4-(3-fluorophenyl)-N-[3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 124754991
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide?
The IUPAC name of 4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide (CID 125170855) is 4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide is O=C(NCCCN1CCC[C@@H](O)C1)c1ccc(F)c(O)c1.
What is the InChIKey of 4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide?
The InChIKey is KEOFEBXBNFXABP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21FN2O3/c16-13-5-4-11(9-14(13)20)15(21)17-6-2-8-18-7-1-3-12(19)10-18/h4-5,9,12,19-20H,1-3,6-8,10H2,(H,17,21)/t12-/m1/s1.
What are the key properties of 4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide?
4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide has a molecular weight of 296.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 125170855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).