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

C27H33N3O2 — CID 24865543

IUPACN-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
InChIInChI=1S/C27H33N3O2/c1-20-10-11-25-26(28-20)8-5-9-27(25)32-17-16-30-14-12-22(13-15-30)18-23-6-4-7-24(19-23)29(3)21(2)31/h4-11,19,22H,12-18H2,1-3H3
InChIKeyMKRKMJIVMFGIAF-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.86
Rot. Bonds7

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

N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide (PubChem CID 24865543) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
PubChem CID24865543
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC NameN-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
InChIInChI=1S/C27H33N3O2/c1-20-10-11-25-26(28-20)8-5-9-27(25)32-17-16-30-14-12-22(13-15-30)18-23-6-4-7-24(19-23)29(3)21(2)31/h4-11,19,22H,12-18H2,1-3H3
InChIKeyMKRKMJIVMFGIAF-UHFFFAOYSA-N
XLogP4.86
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
The IUPAC name of N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide (CID 24865543) is N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide is CC(=O)N(C)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1.
What is the InChIKey of N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
The InChIKey is MKRKMJIVMFGIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-20-10-11-25-26(28-20)8-5-9-27(25)32-17-16-30-14-12-22(13-15-30)18-23-6-4-7-24(19-23)29(3)21(2)31/h4-11,19,22H,12-18H2,1-3H3.
What are the key properties of N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide has a molecular weight of 431.58 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 24865543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).