N-benzyl-2-[5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide

C28H33N3O2 — CID 166628279

IUPACN-benzyl-2-[5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
SMILESCC1CCCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)nc3)cc2)C1
InChIInChI=1S/C28H33N3O2/c1-22-6-5-15-31(21-22)16-17-33-27-13-10-24(11-14-27)25-9-12-26(29-20-25)18-28(32)30-19-23-7-3-2-4-8-23/h2-4,7-14,20,22H,5-6,15-19,21H2,1H3,(H,30,32)
InChIKeyPBJYAFXPNPEHJK-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.72
Rot. Bonds9

About N-benzyl-2-[5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide

N-benzyl-2-[5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide (PubChem CID 166628279) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-benzyl-2-[5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
PubChem CID166628279
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC NameN-benzyl-2-[5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
SMILESCC1CCCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)nc3)cc2)C1
InChIInChI=1S/C28H33N3O2/c1-22-6-5-15-31(21-22)16-17-33-27-13-10-24(11-14-27)25-9-12-26(29-20-25)18-28(32)30-19-23-7-3-2-4-8-23/h2-4,7-14,20,22H,5-6,15-19,21H2,1H3,(H,30,32)
InChIKeyPBJYAFXPNPEHJK-UHFFFAOYSA-N
XLogP4.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-benzyl-2-[5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide (CID 166628279) is N-benzyl-2-[5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-benzyl-2-[5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide is CC1CCCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccc4)nc3)cc2)C1.
What is the InChIKey of N-benzyl-2-[5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
The InChIKey is PBJYAFXPNPEHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-22-6-5-15-31(21-22)16-17-33-27-13-10-24(11-14-27)25-9-12-26(29-20-25)18-28(32)30-19-23-7-3-2-4-8-23/h2-4,7-14,20,22H,5-6,15-19,21H2,1H3,(H,30,32).
What are the key properties of N-benzyl-2-[5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide?
N-benzyl-2-[5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide has a molecular weight of 443.59 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 166628279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).