N-[2-(3-chlorophenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

C26H28ClN3O2 — CID 24790676

IUPACN-[2-(3-chlorophenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C26H28ClN3O2/c27-22-5-3-4-20(18-22)11-15-29-26(31)21-7-9-24(10-8-21)32-25-12-16-30(17-13-25)19-23-6-1-2-14-28-23/h1-10,14,18,25H,11-13,15-17,19H2,(H,29,31)
InChIKeyUXZNVXUIJCUIJA-UHFFFAOYSA-N
MW449.98 g/mol
LogP4.75
Rot. Bonds8

About N-[2-(3-chlorophenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

N-[2-(3-chlorophenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 24790676) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID24790676
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCCc1cccc(Cl)c1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C26H28ClN3O2/c27-22-5-3-4-20(18-22)11-15-29-26(31)21-7-9-24(10-8-21)32-25-12-16-30(17-13-25)19-23-6-1-2-14-28-23/h1-10,14,18,25H,11-13,15-17,19H2,(H,29,31)
InChIKeyUXZNVXUIJCUIJA-UHFFFAOYSA-N
XLogP4.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.98
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 24790676) is N-[2-(3-chlorophenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is O=C(NCCc1cccc(Cl)c1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is UXZNVXUIJCUIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c27-22-5-3-4-20(18-22)11-15-29-26(31)21-7-9-24(10-8-21)32-25-12-16-30(17-13-25)19-23-6-1-2-14-28-23/h1-10,14,18,25H,11-13,15-17,19H2,(H,29,31).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-[2-(3-chlorophenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 449.98 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24790676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).