N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]acetamide

C20H25N3O2 — CID 51097218

IUPACN-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(Cc2ccc(OCc3ccccn3)cc2)C1
InChIInChI=1S/C20H25N3O2/c1-16(24)22-18-6-4-12-23(14-18)13-17-7-9-20(10-8-17)25-15-19-5-2-3-11-21-19/h2-3,5,7-11,18H,4,6,12-15H2,1H3,(H,22,24)
InChIKeyVIMRUBUDFZHSLP-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.76
Rot. Bonds6

About N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]acetamide

N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]acetamide (PubChem CID 51097218) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]acetamide
PubChem CID51097218
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(Cc2ccc(OCc3ccccn3)cc2)C1
InChIInChI=1S/C20H25N3O2/c1-16(24)22-18-6-4-12-23(14-18)13-17-7-9-20(10-8-17)25-15-19-5-2-3-11-21-19/h2-3,5,7-11,18H,4,6,12-15H2,1H3,(H,22,24)
InChIKeyVIMRUBUDFZHSLP-UHFFFAOYSA-N
XLogP2.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]acetamide (CID 51097218) is N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(Cc2ccc(OCc3ccccn3)cc2)C1.
What is the InChIKey of N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]acetamide?
The InChIKey is VIMRUBUDFZHSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16(24)22-18-6-4-12-23(14-18)13-17-7-9-20(10-8-17)25-15-19-5-2-3-11-21-19/h2-3,5,7-11,18H,4,6,12-15H2,1H3,(H,22,24).
What are the key properties of N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]acetamide?
N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 51097218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).