4-[5-(piperidin-4-ylmethoxy)-2-pyridin-4-yl-3-pyridinyl]benzonitrile

C23H22N4O — CID 127028006

IUPAC4-[5-(piperidin-4-ylmethoxy)-2-pyridin-4-yl-3-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(OCC3CCNCC3)cnc2-c2ccncc2)cc1
InChIInChI=1S/C23H22N4O/c24-14-17-1-3-19(4-2-17)22-13-21(28-16-18-5-9-25-10-6-18)15-27-23(22)20-7-11-26-12-8-20/h1-4,7-8,11-13,15,18,25H,5-6,9-10,16H2
InChIKeyVINZQFMCUKWAFJ-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.06
Rot. Bonds5

About 4-[5-(piperidin-4-ylmethoxy)-2-pyridin-4-yl-3-pyridinyl]benzonitrile

4-[5-(piperidin-4-ylmethoxy)-2-pyridin-4-yl-3-pyridinyl]benzonitrile (PubChem CID 127028006) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-[5-(piperidin-4-ylmethoxy)-2-pyridin-4-yl-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[5-(piperidin-4-ylmethoxy)-2-pyridin-4-yl-3-pyridinyl]benzonitrile
PubChem CID127028006
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name4-[5-(piperidin-4-ylmethoxy)-2-pyridin-4-yl-3-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(OCC3CCNCC3)cnc2-c2ccncc2)cc1
InChIInChI=1S/C23H22N4O/c24-14-17-1-3-19(4-2-17)22-13-21(28-16-18-5-9-25-10-6-18)15-27-23(22)20-7-11-26-12-8-20/h1-4,7-8,11-13,15,18,25H,5-6,9-10,16H2
InChIKeyVINZQFMCUKWAFJ-UHFFFAOYSA-N
XLogP4.06
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(piperidin-4-ylmethoxy)-2-pyridin-4-yl-3-pyridinyl]benzonitrile?
The IUPAC name of 4-[5-(piperidin-4-ylmethoxy)-2-pyridin-4-yl-3-pyridinyl]benzonitrile (CID 127028006) is 4-[5-(piperidin-4-ylmethoxy)-2-pyridin-4-yl-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[5-(piperidin-4-ylmethoxy)-2-pyridin-4-yl-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-[5-(piperidin-4-ylmethoxy)-2-pyridin-4-yl-3-pyridinyl]benzonitrile is N#Cc1ccc(-c2cc(OCC3CCNCC3)cnc2-c2ccncc2)cc1.
What is the InChIKey of 4-[5-(piperidin-4-ylmethoxy)-2-pyridin-4-yl-3-pyridinyl]benzonitrile?
The InChIKey is VINZQFMCUKWAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c24-14-17-1-3-19(4-2-17)22-13-21(28-16-18-5-9-25-10-6-18)15-27-23(22)20-7-11-26-12-8-20/h1-4,7-8,11-13,15,18,25H,5-6,9-10,16H2.
What are the key properties of 4-[5-(piperidin-4-ylmethoxy)-2-pyridin-4-yl-3-pyridinyl]benzonitrile?
4-[5-(piperidin-4-ylmethoxy)-2-pyridin-4-yl-3-pyridinyl]benzonitrile has a molecular weight of 370.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(piperidin-4-ylmethoxy)-2-pyridin-4-yl-3-pyridinyl]benzonitrile is sourced from PubChem (CID 127028006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).