4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide

C20H23FN2O3 — CID 126432956

IUPAC4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide
SMILESCOc1ccc(F)cc1-c1ccc(C(=O)NC[C@]2(O)CCCNC2)cc1
InChIInChI=1S/C20H23FN2O3/c1-26-18-8-7-16(21)11-17(18)14-3-5-15(6-4-14)19(24)23-13-20(25)9-2-10-22-12-20/h3-8,11,22,25H,2,9-10,12-13H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyLOFZDSLEZIFWDD-FQEVSTJZSA-N
MW358.41 g/mol
LogP2.35
Rot. Bonds5

About 4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide

4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide (PubChem CID 126432956) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide
PubChem CID126432956
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide
SMILESCOc1ccc(F)cc1-c1ccc(C(=O)NC[C@]2(O)CCCNC2)cc1
InChIInChI=1S/C20H23FN2O3/c1-26-18-8-7-16(21)11-17(18)14-3-5-15(6-4-14)19(24)23-13-20(25)9-2-10-22-12-20/h3-8,11,22,25H,2,9-10,12-13H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyLOFZDSLEZIFWDD-FQEVSTJZSA-N
XLogP2.35
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide with MolForge

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Related Compounds

methyl 2-[4-[(3-hydroxypiperidin-3-yl)methylcarbamoyl]phenyl]benzoate
CID 119067850
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 119059858
4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide
CID 125448120
1-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-3-[3-(2-methoxyphenyl)phenyl]urea
CID 125163782
4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide
CID 126441939
4-(4,6-dimethoxypyrimidin-2-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide;formic acid
CID 154905103
N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 77088762
ethyl 4-[4-[[(3R)-3-hydroxypyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate
CID 126431731
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-3-morpholin-4-ylbenzamide
CID 56894840
N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]-4-(5-methyl-1,3-benzoxazol-2-yl)benzamide
CID 126445459
N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide
CID 124756680
N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide
CID 126448894

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide (CID 126432956) is 4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide is COc1ccc(F)cc1-c1ccc(C(=O)NC[C@]2(O)CCCNC2)cc1.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide?
The InChIKey is LOFZDSLEZIFWDD-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-26-18-8-7-16(21)11-17(18)14-3-5-15(6-4-14)19(24)23-13-20(25)9-2-10-22-12-20/h3-8,11,22,25H,2,9-10,12-13H2,1H3,(H,23,24)/t20-/m0/s1.
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide?
4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide has a molecular weight of 358.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 126432956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).