N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylacetamide

C34H41N5O4S — CID 44535509

IUPACN-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylacetamide
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)C(c4ccsc4)N4CCN(c5ccccc5OC)CC4)CC3)c2c1
InChIInChI=1S/C34H41N5O4S/c1-42-26-7-8-29-28(21-26)27(9-13-35-29)31(40)22-37-14-10-25(11-15-37)36-34(41)33(24-12-20-44-23-24)39-18-16-38(17-19-39)30-5-3-4-6-32(30)43-2/h3-9,12-13,20-21,23,25,31,33,40H,10-11,14-19,22H2,1-2H3,(H,36,41)/t31-,33?/m0/s1
InChIKeyIVFQOPBAGUEYGL-MOJIJOCKSA-N
MW615.80 g/mol
LogP4.49
Rot. Bonds10

About N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylacetamide

N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylacetamide (PubChem CID 44535509) has the molecular formula C34H41N5O4S and a molecular weight of 615.80 g/mol. Its IUPAC name is N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylacetamide
PubChem CID44535509
Molecular FormulaC34H41N5O4S
Molecular Weight615.80 g/mol
Exact Mass615.29
IUPAC NameN-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylacetamide
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)C(c4ccsc4)N4CCN(c5ccccc5OC)CC4)CC3)c2c1
InChIInChI=1S/C34H41N5O4S/c1-42-26-7-8-29-28(21-26)27(9-13-35-29)31(40)22-37-14-10-25(11-15-37)36-34(41)33(24-12-20-44-23-24)39-18-16-38(17-19-39)30-5-3-4-6-32(30)43-2/h3-9,12-13,20-21,23,25,31,33,40H,10-11,14-19,22H2,1-2H3,(H,36,41)/t31-,33?/m0/s1
InChIKeyIVFQOPBAGUEYGL-MOJIJOCKSA-N
XLogP4.49
TPSA90.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.80
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylacetamide (CID 44535509) is N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylacetamide is COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)C(c4ccsc4)N4CCN(c5ccccc5OC)CC4)CC3)c2c1.
What is the InChIKey of N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylacetamide?
The InChIKey is IVFQOPBAGUEYGL-MOJIJOCKSA-N. The full InChI is InChI=1S/C34H41N5O4S/c1-42-26-7-8-29-28(21-26)27(9-13-35-29)31(40)22-37-14-10-25(11-15-37)36-34(41)33(24-12-20-44-23-24)39-18-16-38(17-19-39)30-5-3-4-6-32(30)43-2/h3-9,12-13,20-21,23,25,31,33,40H,10-11,14-19,22H2,1-2H3,(H,36,41)/t31-,33?/m0/s1.
What are the key properties of N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylacetamide?
N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylacetamide has a molecular weight of 615.80 g/mol, XLogP of 4.49, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 44535509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).