N-(pyridin-2-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide

C23H25N3O2S — CID 24792148

IUPACN-(pyridin-2-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCc1ccccn1)c1ccc(OC2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C23H25N3O2S/c27-23(25-16-19-4-1-2-12-24-19)18-6-8-20(9-7-18)28-21-10-13-26(14-11-21)17-22-5-3-15-29-22/h1-9,12,15,21H,10-11,13-14,16-17H2,(H,25,27)
InChIKeyVIZBUQGNUKLRKQ-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.12
Rot. Bonds7

About N-(pyridin-2-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide

N-(pyridin-2-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 24792148) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID24792148
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-(pyridin-2-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCc1ccccn1)c1ccc(OC2CCN(Cc3cccs3)CC2)cc1
InChIInChI=1S/C23H25N3O2S/c27-23(25-16-19-4-1-2-12-24-19)18-6-8-20(9-7-18)28-21-10-13-26(14-11-21)17-22-5-3-15-29-22/h1-9,12,15,21H,10-11,13-14,16-17H2,(H,25,27)
InChIKeyVIZBUQGNUKLRKQ-UHFFFAOYSA-N
XLogP4.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 24792148) is N-(pyridin-2-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide is O=C(NCc1ccccn1)c1ccc(OC2CCN(Cc3cccs3)CC2)cc1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is VIZBUQGNUKLRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c27-23(25-16-19-4-1-2-12-24-19)18-6-8-20(9-7-18)28-21-10-13-26(14-11-21)17-22-5-3-15-29-22/h1-9,12,15,21H,10-11,13-14,16-17H2,(H,25,27).
What are the key properties of N-(pyridin-2-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-(pyridin-2-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 407.54 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24792148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).