6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide

C17H26N4O2 — CID 176985331

IUPAC6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCC(CN3CCC(O)CC3)CC2)nc1
InChIInChI=1S/C17H26N4O2/c18-17(23)14-1-2-16(19-11-14)21-9-3-13(4-10-21)12-20-7-5-15(22)6-8-20/h1-2,11,13,15,22H,3-10,12H2,(H2,18,23)
InChIKeyQPGPTPUZHLGUKX-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.85
Rot. Bonds4

About 6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide

6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 176985331) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID176985331
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCC(CN3CCC(O)CC3)CC2)nc1
InChIInChI=1S/C17H26N4O2/c18-17(23)14-1-2-16(19-11-14)21-9-3-13(4-10-21)12-20-7-5-15(22)6-8-20/h1-2,11,13,15,22H,3-10,12H2,(H2,18,23)
InChIKeyQPGPTPUZHLGUKX-UHFFFAOYSA-N
XLogP0.85
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 176985331) is 6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide is NC(=O)c1ccc(N2CCC(CN3CCC(O)CC3)CC2)nc1.
What is the InChIKey of 6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is QPGPTPUZHLGUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c18-17(23)14-1-2-16(19-11-14)21-9-3-13(4-10-21)12-20-7-5-15(22)6-8-20/h1-2,11,13,15,22H,3-10,12H2,(H2,18,23).
What are the key properties of 6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide?
6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 176985331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).