4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide

C18H17ClFN3O3 — CID 91840759

IUPAC4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H17ClFN3O3/c19-12-5-4-11(9-13(12)20)17(25)22-14-6-8-23(10-16(14)24)18(26)15-3-1-2-7-21-15/h1-5,7,9,14,16,24H,6,8,10H2,(H,22,25)/t14-,16-/m1/s1
InChIKeyNMOQZNBHXZVMAX-GDBMZVCRSA-N
MW377.80 g/mol
LogP1.88
Rot. Bonds3

About 4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide

4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide (PubChem CID 91840759) has the molecular formula C18H17ClFN3O3 and a molecular weight of 377.80 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
PubChem CID91840759
Molecular FormulaC18H17ClFN3O3
Molecular Weight377.80 g/mol
Exact Mass377.09
IUPAC Name4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H17ClFN3O3/c19-12-5-4-11(9-13(12)20)17(25)22-14-6-8-23(10-16(14)24)18(26)15-3-1-2-7-21-15/h1-5,7,9,14,16,24H,6,8,10H2,(H,22,25)/t14-,16-/m1/s1
InChIKeyNMOQZNBHXZVMAX-GDBMZVCRSA-N
XLogP1.88
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-4-methoxybenzamide
CID 91835978
N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]-2-methylsulfanylbenzamide
CID 91843922
N-[(3R,4R)-3-hydroxy-1-(5-methyl-1H-imidazole-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70756562
benzyl 3-hydroxy-4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 66706127
2-(cyclopropylmethylsulfanyl)-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 91831433
N-[(3R,4R)-3-hydroxy-1-(oxane-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70721042
N-[(3R,4R)-3-hydroxy-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]pyridine-2-carboxamide
CID 70765532
2-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
[(3R,4R)-3-hydroxy-4-[(4-methylphthalazin-1-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 118780699
[(3R,4R)-3-hydroxy-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 91834088
[3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404509
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide (CID 91840759) is 4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide is O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is NMOQZNBHXZVMAX-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H17ClFN3O3/c19-12-5-4-11(9-13(12)20)17(25)22-14-6-8-23(10-16(14)24)18(26)15-3-1-2-7-21-15/h1-5,7,9,14,16,24H,6,8,10H2,(H,22,25)/t14-,16-/m1/s1.
What are the key properties of 4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide?
4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 377.80 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-[(3R,4R)-3-hydroxy-1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 91840759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).