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

C19H22FN3O2 — CID 56760244

IUPAC2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC(CO)(Cc3cccc(F)c3)CC2)c1
InChIInChI=1S/C19H22FN3O2/c20-16-3-1-2-14(10-16)12-19(13-24)5-8-23(9-6-19)17-11-15(18(21)25)4-7-22-17/h1-4,7,10-11,24H,5-6,8-9,12-13H2,(H2,21,25)
InChIKeyUHVDACRRJRNLNG-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.14
Rot. Bonds5

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

2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 56760244) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide
PubChem CID56760244
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC(CO)(Cc3cccc(F)c3)CC2)c1
InChIInChI=1S/C19H22FN3O2/c20-16-3-1-2-14(10-16)12-19(13-24)5-8-23(9-6-19)17-11-15(18(21)25)4-7-22-17/h1-4,7,10-11,24H,5-6,8-9,12-13H2,(H2,21,25)
InChIKeyUHVDACRRJRNLNG-UHFFFAOYSA-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-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide (CID 56760244) is 2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide is NC(=O)c1ccnc(N2CCC(CO)(Cc3cccc(F)c3)CC2)c1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is UHVDACRRJRNLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-16-3-1-2-14(10-16)12-19(13-24)5-8-23(9-6-19)17-11-15(18(21)25)4-7-22-17/h1-4,7,10-11,24H,5-6,8-9,12-13H2,(H2,21,25).
What are the key properties of 2-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide?
2-[4-[(3-fluorophenyl)methyl]-4-(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-[4-[(3-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 56760244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).