4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide

C26H30N4O2 — CID 24817089

IUPAC4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide
SMILESCC(Cc1ccccn1)NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C26H30N4O2/c1-20(18-22-6-2-4-14-27-22)29-26(31)21-8-10-24(11-9-21)32-25-12-16-30(17-13-25)19-23-7-3-5-15-28-23/h2-11,14-15,20,25H,12-13,16-19H2,1H3,(H,29,31)
InChIKeyHVHKWCDLXQIZOV-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.88
Rot. Bonds8

About 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide

4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide (PubChem CID 24817089) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide
PubChem CID24817089
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide
SMILESCC(Cc1ccccn1)NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C26H30N4O2/c1-20(18-22-6-2-4-14-27-22)29-26(31)21-8-10-24(11-9-21)32-25-12-16-30(17-13-25)19-23-7-3-5-15-28-23/h2-11,14-15,20,25H,12-13,16-19H2,1H3,(H,29,31)
InChIKeyHVHKWCDLXQIZOV-UHFFFAOYSA-N
XLogP3.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide?
The IUPAC name of 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide (CID 24817089) is 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide is CC(Cc1ccccn1)NC(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide?
The InChIKey is HVHKWCDLXQIZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-20(18-22-6-2-4-14-27-22)29-26(31)21-8-10-24(11-9-21)32-25-12-16-30(17-13-25)19-23-7-3-5-15-28-23/h2-11,14-15,20,25H,12-13,16-19H2,1H3,(H,29,31).
What are the key properties of 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide?
4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide has a molecular weight of 430.55 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-pyridin-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 24817089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).