N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide

C26H31N3O2 — CID 10173263

IUPACN-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
InChIInChI=1S/C26H31N3O2/c1-19-9-10-24-25(27-19)7-4-8-26(24)31-16-15-29-13-11-21(12-14-29)17-22-5-3-6-23(18-22)28-20(2)30/h3-10,18,21H,11-17H2,1-2H3,(H,28,30)
InChIKeyHPEPSFIQGVIHOG-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.84
Rot. Bonds7

About N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide

N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide (PubChem CID 10173263) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
PubChem CID10173263
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
InChIInChI=1S/C26H31N3O2/c1-19-9-10-24-25(27-19)7-4-8-26(24)31-16-15-29-13-11-21(12-14-29)17-22-5-3-6-23(18-22)28-20(2)30/h3-10,18,21H,11-17H2,1-2H3,(H,28,30)
InChIKeyHPEPSFIQGVIHOG-UHFFFAOYSA-N
XLogP4.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide (CID 10173263) is N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1.
What is the InChIKey of N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
The InChIKey is HPEPSFIQGVIHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-19-9-10-24-25(27-19)7-4-8-26(24)31-16-15-29-13-11-21(12-14-29)17-22-5-3-6-23(18-22)28-20(2)30/h3-10,18,21H,11-17H2,1-2H3,(H,28,30).
What are the key properties of N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide has a molecular weight of 417.55 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 10173263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).