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

C28H36N4O2 — CID 10127673

IUPAC2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
SMILESCc1ccc2c(OCCN3CCC(Cc4cccc(NC(=O)CN(C)C)c4)CC3)cccc2n1
InChIInChI=1S/C28H36N4O2/c1-21-10-11-25-26(29-21)8-5-9-27(25)34-17-16-32-14-12-22(13-15-32)18-23-6-4-7-24(19-23)30-28(33)20-31(2)3/h4-11,19,22H,12-18,20H2,1-3H3,(H,30,33)
InChIKeyKFSJURQYNCYVKV-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.38
Rot. Bonds9

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

2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide (PubChem CID 10127673) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
PubChem CID10127673
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
SMILESCc1ccc2c(OCCN3CCC(Cc4cccc(NC(=O)CN(C)C)c4)CC3)cccc2n1
InChIInChI=1S/C28H36N4O2/c1-21-10-11-25-26(29-21)8-5-9-27(25)34-17-16-32-14-12-22(13-15-32)18-23-6-4-7-24(19-23)30-28(33)20-31(2)3/h4-11,19,22H,12-18,20H2,1-3H3,(H,30,33)
InChIKeyKFSJURQYNCYVKV-UHFFFAOYSA-N
XLogP4.38
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-chloro-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 69353335
N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]methanesulfonamide
CID 24865725
N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]butanamide
CID 90877133
N-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide
CID 10195487
2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine
CID 85335370
N-[3-[[2-hydroxyethyl(methyl)amino]-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 69353213
6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 10309968
4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine
CID 10195770
4-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-2-nitrophenol
CID 11464355
N-[3-[[[C-(3-benzylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]-2-(dimethylamino)acetamide;hydroiodide
CID 111725346
2-(4-benzylpiperidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8904565
5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline
CID 11235335

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide (CID 10127673) is 2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide is Cc1ccc2c(OCCN3CCC(Cc4cccc(NC(=O)CN(C)C)c4)CC3)cccc2n1.
What is the InChIKey of 2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
The InChIKey is KFSJURQYNCYVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-21-10-11-25-26(29-21)8-5-9-27(25)34-17-16-32-14-12-22(13-15-32)18-23-6-4-7-24(19-23)30-28(33)20-31(2)3/h4-11,19,22H,12-18,20H2,1-3H3,(H,30,33).
What are the key properties of 2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide has a molecular weight of 460.62 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 10127673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).