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

C29H38N4O3 — CID 69353213

IUPACN-[3-[[2-hydroxyethyl(methyl)amino]-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C2CCN(CCOc3cccc4nc(C)ccc34)CC2)N(C)CCO)c1
InChIInChI=1S/C29H38N4O3/c1-21-10-11-26-27(30-21)8-5-9-28(26)36-19-17-33-14-12-23(13-15-33)29(32(3)16-18-34)24-6-4-7-25(20-24)31-22(2)35/h4-11,20,23,29,34H,12-19H2,1-3H3,(H,31,35)
InChIKeyPVMXNUFIMGUCEV-UHFFFAOYSA-N
MW490.65 g/mol
LogP4.26
Rot. Bonds10

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

N-[3-[[2-hydroxyethyl(methyl)amino]-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide (PubChem CID 69353213) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is N-[3-[[2-hydroxyethyl(methyl)amino]-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[2-hydroxyethyl(methyl)amino]-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
PubChem CID69353213
Molecular FormulaC29H38N4O3
Molecular Weight490.65 g/mol
Exact Mass490.29
IUPAC NameN-[3-[[2-hydroxyethyl(methyl)amino]-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C2CCN(CCOc3cccc4nc(C)ccc34)CC2)N(C)CCO)c1
InChIInChI=1S/C29H38N4O3/c1-21-10-11-26-27(30-21)8-5-9-28(26)36-19-17-33-14-12-23(13-15-33)29(32(3)16-18-34)24-6-4-7-25(20-24)31-22(2)35/h4-11,20,23,29,34H,12-19H2,1-3H3,(H,31,35)
InChIKeyPVMXNUFIMGUCEV-UHFFFAOYSA-N
XLogP4.26
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-hydroxyethyl(methyl)amino]-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[2-hydroxyethyl(methyl)amino]-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide (CID 69353213) is N-[3-[[2-hydroxyethyl(methyl)amino]-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[2-hydroxyethyl(methyl)amino]-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[2-hydroxyethyl(methyl)amino]-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C2CCN(CCOc3cccc4nc(C)ccc34)CC2)N(C)CCO)c1.
What is the InChIKey of N-[3-[[2-hydroxyethyl(methyl)amino]-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
The InChIKey is PVMXNUFIMGUCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3/c1-21-10-11-26-27(30-21)8-5-9-28(26)36-19-17-33-14-12-23(13-15-33)29(32(3)16-18-34)24-6-4-7-25(20-24)31-22(2)35/h4-11,20,23,29,34H,12-19H2,1-3H3,(H,31,35).
What are the key properties of N-[3-[[2-hydroxyethyl(methyl)amino]-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide?
N-[3-[[2-hydroxyethyl(methyl)amino]-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide has a molecular weight of 490.65 g/mol, XLogP of 4.26, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-hydroxyethyl(methyl)amino]-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 69353213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).