tert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid

C23H33N3O4 — CID 68748239

IUPACtert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid
SMILESCOc1ccc2nccc(CC(O)N3CCCCC3CN(C(=O)O)C(C)(C)C)c2c1
InChIInChI=1S/C23H33N3O4/c1-23(2,3)26(22(28)29)15-17-7-5-6-12-25(17)21(27)13-16-10-11-24-20-9-8-18(30-4)14-19(16)20/h8-11,14,17,21,27H,5-7,12-13,15H2,1-4H3,(H,28,29)
InChIKeyQLGKZMHVRHARHF-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.74
Rot. Bonds6

About tert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid

tert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid (PubChem CID 68748239) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is tert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid
PubChem CID68748239
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Nametert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid
SMILESCOc1ccc2nccc(CC(O)N3CCCCC3CN(C(=O)O)C(C)(C)C)c2c1
InChIInChI=1S/C23H33N3O4/c1-23(2,3)26(22(28)29)15-17-7-5-6-12-25(17)21(27)13-16-10-11-24-20-9-8-18(30-4)14-19(16)20/h8-11,14,17,21,27H,5-7,12-13,15H2,1-4H3,(H,28,29)
InChIKeyQLGKZMHVRHARHF-UHFFFAOYSA-N
XLogP3.74
TPSA86.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid with MolForge

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Related Compounds

[1-[8-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methylpropan-2-yl]carbamic acid
CID 68743893
tert-butyl N-[4-[(1S)-1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]cyclohexyl]carbamate
CID 68631993
N-[2-(6-methoxyquinolin-4-yl)ethyl]cyclopropanecarboxamide
CID 19709964
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
3-(dibenzylamino)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-one
CID 68565740
sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597
1-(1-imino-1-oxo-1,4-thiazinan-4-yl)-2-(7-methoxyquinolin-4-yl)ethanol
CID 167284408
4-[3-[1-(cyclohexylmethyl)piperidin-4-yl]propyl]-6-methoxyquinoline
CID 141033582
3-[(3R,4R)-1-(2-cyclohexylethyl)-4-[3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]propanoic acid
CID 139999646
(3R,4R)-1-(2-cyclopentylsulfanylethyl)-4-[(3R)-3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidine-3-carboxylic acid;dihydrochloride
CID 70175551
3-[1-(2-cyclohexylethyl)-4-[(3S)-3-hydroxy-3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]propanoic acid
CID 70175375
amino 3-fluoro-4-hydroxy-2-[(6-methoxyquinolin-4-yl)methyl]piperidine-1-carboxylate
CID 141328371

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid?
The IUPAC name of tert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid (CID 68748239) is tert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid.
What is the SMILES notation for tert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid?
The canonical SMILES for tert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid is COc1ccc2nccc(CC(O)N3CCCCC3CN(C(=O)O)C(C)(C)C)c2c1.
What is the InChIKey of tert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid?
The InChIKey is QLGKZMHVRHARHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-23(2,3)26(22(28)29)15-17-7-5-6-12-25(17)21(27)13-16-10-11-24-20-9-8-18(30-4)14-19(16)20/h8-11,14,17,21,27H,5-7,12-13,15H2,1-4H3,(H,28,29).
What are the key properties of tert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid?
tert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid has a molecular weight of 415.53 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[1-[1-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-yl]methyl]carbamic acid is sourced from PubChem (CID 68748239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).