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

C19H23N3O2 — CID 56758194

IUPAC2-[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCCC(CO)(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H23N3O2/c20-18(24)16-7-9-21-17(11-16)22-10-4-8-19(13-22,14-23)12-15-5-2-1-3-6-15/h1-3,5-7,9,11,23H,4,8,10,12-14H2,(H2,20,24)
InChIKeyUXOHLFKCUGCVKF-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.00
Rot. Bonds5

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

2-[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 56758194) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide
PubChem CID56758194
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCCC(CO)(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H23N3O2/c20-18(24)16-7-9-21-17(11-16)22-10-4-8-19(13-22,14-23)12-15-5-2-1-3-6-15/h1-3,5-7,9,11,23H,4,8,10,12-14H2,(H2,20,24)
InChIKeyUXOHLFKCUGCVKF-UHFFFAOYSA-N
XLogP2.00
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide (CID 56758194) is 2-[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide is NC(=O)c1ccnc(N2CCCC(CO)(Cc3ccccc3)C2)c1.
What is the InChIKey of 2-[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is UXOHLFKCUGCVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c20-18(24)16-7-9-21-17(11-16)22-10-4-8-19(13-22,14-23)12-15-5-2-1-3-6-15/h1-3,5-7,9,11,23H,4,8,10,12-14H2,(H2,20,24).
What are the key properties of 2-[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide?
2-[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 56758194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).