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

C28H35N3O2 — CID 24865724

IUPACN-ethyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
SMILESCCN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
InChIInChI=1S/C28H35N3O2/c1-4-31(22(3)32)25-8-5-7-24(20-25)19-23-13-15-30(16-14-23)17-18-33-28-10-6-9-27-26(28)12-11-21(2)29-27/h5-12,20,23H,4,13-19H2,1-3H3
InChIKeyKRKQYFXRMDVHOE-UHFFFAOYSA-N
MW445.61 g/mol
LogP5.25
Rot. Bonds8

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

N-ethyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide (PubChem CID 24865724) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is N-ethyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
PubChem CID24865724
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC NameN-ethyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
SMILESCCN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
InChIInChI=1S/C28H35N3O2/c1-4-31(22(3)32)25-8-5-7-24(20-25)19-23-13-15-30(16-14-23)17-18-33-28-10-6-9-27-26(28)12-11-21(2)29-27/h5-12,20,23H,4,13-19H2,1-3H3
InChIKeyKRKQYFXRMDVHOE-UHFFFAOYSA-N
XLogP5.25
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
The IUPAC name of N-ethyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide (CID 24865724) is N-ethyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-ethyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-ethyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide is CCN(C(C)=O)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1.
What is the InChIKey of N-ethyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
The InChIKey is KRKQYFXRMDVHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2/c1-4-31(22(3)32)25-8-5-7-24(20-25)19-23-13-15-30(16-14-23)17-18-33-28-10-6-9-27-26(28)12-11-21(2)29-27/h5-12,20,23H,4,13-19H2,1-3H3.
What are the key properties of N-ethyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
N-ethyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide has a molecular weight of 445.61 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 24865724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).