N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-hydroxy-5-(propanoylamino)benzamide

C22H26FN3O3 — CID 86967206

IUPACN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-hydroxy-5-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(O)c(C(=O)NC2CCCN(c3cc(C)ccc3F)C2)c1
InChIInChI=1S/C22H26FN3O3/c1-3-21(28)24-15-7-9-20(27)17(12-15)22(29)25-16-5-4-10-26(13-16)19-11-14(2)6-8-18(19)23/h6-9,11-12,16,27H,3-5,10,13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyNQQOOEPHENRYIZ-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.59
Rot. Bonds5

About N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-hydroxy-5-(propanoylamino)benzamide

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-hydroxy-5-(propanoylamino)benzamide (PubChem CID 86967206) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-hydroxy-5-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-hydroxy-5-(propanoylamino)benzamide
PubChem CID86967206
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-hydroxy-5-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(O)c(C(=O)NC2CCCN(c3cc(C)ccc3F)C2)c1
InChIInChI=1S/C22H26FN3O3/c1-3-21(28)24-15-7-9-20(27)17(12-15)22(29)25-16-5-4-10-26(13-16)19-11-14(2)6-8-18(19)23/h6-9,11-12,16,27H,3-5,10,13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyNQQOOEPHENRYIZ-UHFFFAOYSA-N
XLogP3.59
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
CID 86965224
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 86965219
N-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-pyrazol-1-ylacetamide
CID 95629388
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 47344801
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-methyl-3-nitrobenzamide
CID 86965404
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide
CID 86966256
N-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide
CID 97438128
N-[4-[[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 86965265
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111444175
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428371
2-[4-[[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 86966890

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-hydroxy-5-(propanoylamino)benzamide?
The IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-hydroxy-5-(propanoylamino)benzamide (CID 86967206) is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-hydroxy-5-(propanoylamino)benzamide.
What is the SMILES notation for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-hydroxy-5-(propanoylamino)benzamide?
The canonical SMILES for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-hydroxy-5-(propanoylamino)benzamide is CCC(=O)Nc1ccc(O)c(C(=O)NC2CCCN(c3cc(C)ccc3F)C2)c1.
What is the InChIKey of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-hydroxy-5-(propanoylamino)benzamide?
The InChIKey is NQQOOEPHENRYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-3-21(28)24-15-7-9-20(27)17(12-15)22(29)25-16-5-4-10-26(13-16)19-11-14(2)6-8-18(19)23/h6-9,11-12,16,27H,3-5,10,13H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-hydroxy-5-(propanoylamino)benzamide?
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-hydroxy-5-(propanoylamino)benzamide has a molecular weight of 399.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-hydroxy-5-(propanoylamino)benzamide is sourced from PubChem (CID 86967206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).