N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide

C19H19FN2O4 — CID 108549393

IUPACN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)c2cc(O)cc(O)c2)CC1)c1ccccc1F
InChIInChI=1S/C19H19FN2O4/c20-17-4-2-1-3-16(17)18(25)21-13-5-7-22(8-6-13)19(26)12-9-14(23)11-15(24)10-12/h1-4,9-11,13,23-24H,5-8H2,(H,21,25)
InChIKeyMBIACMWNYIWGTQ-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.27
Rot. Bonds3

About N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide

N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide (PubChem CID 108549393) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide
PubChem CID108549393
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC NameN-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)c2cc(O)cc(O)c2)CC1)c1ccccc1F
InChIInChI=1S/C19H19FN2O4/c20-17-4-2-1-3-16(17)18(25)21-13-5-7-22(8-6-13)19(26)12-9-14(23)11-15(24)10-12/h1-4,9-11,13,23-24H,5-8H2,(H,21,25)
InChIKeyMBIACMWNYIWGTQ-UHFFFAOYSA-N
XLogP2.27
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551443
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
2-fluoro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]benzamide
CID 110821194
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552291
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108562910
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557881
2-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
2,4-difluoro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
CID 108564431
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558235

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide?
The IUPAC name of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide (CID 108549393) is N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide?
The canonical SMILES for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide is O=C(NC1CCN(C(=O)c2cc(O)cc(O)c2)CC1)c1ccccc1F.
What is the InChIKey of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide?
The InChIKey is MBIACMWNYIWGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c20-17-4-2-1-3-16(17)18(25)21-13-5-7-22(8-6-13)19(26)12-9-14(23)11-15(24)10-12/h1-4,9-11,13,23-24H,5-8H2,(H,21,25).
What are the key properties of N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide?
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide has a molecular weight of 358.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-fluorobenzamide is sourced from PubChem (CID 108549393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).