2-[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(hydroxymethyl)piperidin-4-yl]amino]-N-phenylacetamide

C26H32N4O4 — CID 23152163

IUPAC2-[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(hydroxymethyl)piperidin-4-yl]amino]-N-phenylacetamide
SMILESCOc1ccc2nccc(C(O)CN3CCC(CO)(NCC(=O)Nc4ccccc4)CC3)c2c1
InChIInChI=1S/C26H32N4O4/c1-34-20-7-8-23-22(15-20)21(9-12-27-23)24(32)17-30-13-10-26(18-31,11-14-30)28-16-25(33)29-19-5-3-2-4-6-19/h2-9,12,15,24,28,31-32H,10-11,13-14,16-18H2,1H3,(H,29,33)
InChIKeyKZBFXSPLTGEURF-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.33
Rot. Bonds9

About 2-[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(hydroxymethyl)piperidin-4-yl]amino]-N-phenylacetamide

2-[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(hydroxymethyl)piperidin-4-yl]amino]-N-phenylacetamide (PubChem CID 23152163) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(hydroxymethyl)piperidin-4-yl]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(hydroxymethyl)piperidin-4-yl]amino]-N-phenylacetamide
PubChem CID23152163
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name2-[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(hydroxymethyl)piperidin-4-yl]amino]-N-phenylacetamide
SMILESCOc1ccc2nccc(C(O)CN3CCC(CO)(NCC(=O)Nc4ccccc4)CC3)c2c1
InChIInChI=1S/C26H32N4O4/c1-34-20-7-8-23-22(15-20)21(9-12-27-23)24(32)17-30-13-10-26(18-31,11-14-30)28-16-25(33)29-19-5-3-2-4-6-19/h2-9,12,15,24,28,31-32H,10-11,13-14,16-18H2,1H3,(H,29,33)
InChIKeyKZBFXSPLTGEURF-UHFFFAOYSA-N
XLogP2.33
TPSA106.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(hydroxymethyl)piperidin-4-yl]amino]-N-phenylacetamide with MolForge

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Related Compounds

1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol
CID 22386516
(E)-1-[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]-4-phenylbut-3-en-1-one
CID 10113607
(E)-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-3-phenyl-2-(4-phenylphenyl)prop-2-enamide
CID 44535664
(1R)-2-(4-hexylpiperazin-1-yl)-1-(6-methoxyquinolin-4-yl)ethanol
CID 20805672
(E)-1-[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]-4-phenylbut-3-en-1-one;oxalic acid
CID 131737682
1-[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]-3-phenylpropan-2-ol
CID 44535107
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidine-4-carboxamide
CID 24781737
(1R)-2-[4-(1H-benzimidazol-2-ylmethylamino)piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol;oxalic acid
CID 44534836
2-(4-benzylpiperazin-1-yl)-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44535502
2-[5-(hydroxymethyl)-1,4-diazocan-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol
CID 142884528
(1R)-2-[4-[(3-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol;oxalic acid
CID 44535578
(1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol
CID 69373184

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(hydroxymethyl)piperidin-4-yl]amino]-N-phenylacetamide?
The IUPAC name of 2-[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(hydroxymethyl)piperidin-4-yl]amino]-N-phenylacetamide (CID 23152163) is 2-[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(hydroxymethyl)piperidin-4-yl]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(hydroxymethyl)piperidin-4-yl]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(hydroxymethyl)piperidin-4-yl]amino]-N-phenylacetamide is COc1ccc2nccc(C(O)CN3CCC(CO)(NCC(=O)Nc4ccccc4)CC3)c2c1.
What is the InChIKey of 2-[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(hydroxymethyl)piperidin-4-yl]amino]-N-phenylacetamide?
The InChIKey is KZBFXSPLTGEURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-34-20-7-8-23-22(15-20)21(9-12-27-23)24(32)17-30-13-10-26(18-31,11-14-30)28-16-25(33)29-19-5-3-2-4-6-19/h2-9,12,15,24,28,31-32H,10-11,13-14,16-18H2,1H3,(H,29,33).
What are the key properties of 2-[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(hydroxymethyl)piperidin-4-yl]amino]-N-phenylacetamide?
2-[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(hydroxymethyl)piperidin-4-yl]amino]-N-phenylacetamide has a molecular weight of 464.57 g/mol, XLogP of 2.33, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-(hydroxymethyl)piperidin-4-yl]amino]-N-phenylacetamide is sourced from PubChem (CID 23152163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).