2-[(3R)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide

C19H22FN3O2 — CID 95199052

IUPAC2-[(3R)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C19H22FN3O2/c20-16-4-2-14(3-5-16)11-19(13-24)7-1-9-23(12-19)17-10-15(18(21)25)6-8-22-17/h2-6,8,10,24H,1,7,9,11-13H2,(H2,21,25)/t19-/m1/s1
InChIKeyXUVAAGUZIWMXMU-LJQANCHMSA-N
MW343.40 g/mol
LogP2.14
Rot. Bonds5

About 2-[(3R)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide

2-[(3R)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 95199052) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[(3R)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide
PubChem CID95199052
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-[(3R)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C19H22FN3O2/c20-16-4-2-14(3-5-16)11-19(13-24)7-1-9-23(12-19)17-10-15(18(21)25)6-8-22-17/h2-6,8,10,24H,1,7,9,11-13H2,(H2,21,25)/t19-/m1/s1
InChIKeyXUVAAGUZIWMXMU-LJQANCHMSA-N
XLogP2.14
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[(3R)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide (CID 95199052) is 2-[(3R)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(3R)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(3R)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide is NC(=O)c1ccnc(N2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c1.
What is the InChIKey of 2-[(3R)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is XUVAAGUZIWMXMU-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-16-4-2-14(3-5-16)11-19(13-24)7-1-9-23(12-19)17-10-15(18(21)25)6-8-22-17/h2-6,8,10,24H,1,7,9,11-13H2,(H2,21,25)/t19-/m1/s1.
What are the key properties of 2-[(3R)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide?
2-[(3R)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 95199052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).