4-hydroxy-3-[(1-methyl-4-oxoquinolin-3-yl)methylamino]piperidine-1-carboxylic acid

C17H21N3O4 — CID 175725575

IUPAC4-hydroxy-3-[(1-methyl-4-oxoquinolin-3-yl)methylamino]piperidine-1-carboxylic acid
SMILESCn1cc(CNC2CN(C(=O)O)CCC2O)c(=O)c2ccccc21
InChIInChI=1S/C17H21N3O4/c1-19-9-11(16(22)12-4-2-3-5-14(12)19)8-18-13-10-20(17(23)24)7-6-15(13)21/h2-5,9,13,15,18,21H,6-8,10H2,1H3,(H,23,24)
InChIKeyWZVHSMZEHKWNKB-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.74
Rot. Bonds3

About 4-hydroxy-3-[(1-methyl-4-oxoquinolin-3-yl)methylamino]piperidine-1-carboxylic acid

4-hydroxy-3-[(1-methyl-4-oxoquinolin-3-yl)methylamino]piperidine-1-carboxylic acid (PubChem CID 175725575) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-hydroxy-3-[(1-methyl-4-oxoquinolin-3-yl)methylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3-[(1-methyl-4-oxoquinolin-3-yl)methylamino]piperidine-1-carboxylic acid
PubChem CID175725575
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name4-hydroxy-3-[(1-methyl-4-oxoquinolin-3-yl)methylamino]piperidine-1-carboxylic acid
SMILESCn1cc(CNC2CN(C(=O)O)CCC2O)c(=O)c2ccccc21
InChIInChI=1S/C17H21N3O4/c1-19-9-11(16(22)12-4-2-3-5-14(12)19)8-18-13-10-20(17(23)24)7-6-15(13)21/h2-5,9,13,15,18,21H,6-8,10H2,1H3,(H,23,24)
InChIKeyWZVHSMZEHKWNKB-UHFFFAOYSA-N
XLogP0.74
TPSA94.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol
CID 107236127
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 86859520
(3R,4S)-4-(benzylamino)-3-hydroxypiperidine-1-carboxylic acid;hydrochloride
CID 67928795
3-benzyl-1-methylquinolin-4-one
CID 10988673
1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine
CID 115117392
2-(1-methylindol-3-yl)-1-[(3S)-3-phenylazepan-1-yl]ethanone
CID 129409350
3-[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carbonyl]-1-methylquinolin-4-one
CID 91840033
(1S,2R,3R,5R)-3-(methoxymethyl)-5-[(1-methylindol-3-yl)methylamino]cyclopentane-1,2-diol;hydrochloride
CID 146117872
ethane;(E)-2-[(Z)-1-[4-[(1-methylindol-3-yl)methylamino]piperidin-1-yl]ethenyliminomethyl]but-2-enoic acid
CID 143172457
3-[(3R)-1-[2-(1-methylindol-3-yl)acetyl]piperidin-3-yl]propanoic acid
CID 124697845
2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 70783175

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(1-methyl-4-oxoquinolin-3-yl)methylamino]piperidine-1-carboxylic acid?
The IUPAC name of 4-hydroxy-3-[(1-methyl-4-oxoquinolin-3-yl)methylamino]piperidine-1-carboxylic acid (CID 175725575) is 4-hydroxy-3-[(1-methyl-4-oxoquinolin-3-yl)methylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-3-[(1-methyl-4-oxoquinolin-3-yl)methylamino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-3-[(1-methyl-4-oxoquinolin-3-yl)methylamino]piperidine-1-carboxylic acid is Cn1cc(CNC2CN(C(=O)O)CCC2O)c(=O)c2ccccc21.
What is the InChIKey of 4-hydroxy-3-[(1-methyl-4-oxoquinolin-3-yl)methylamino]piperidine-1-carboxylic acid?
The InChIKey is WZVHSMZEHKWNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-19-9-11(16(22)12-4-2-3-5-14(12)19)8-18-13-10-20(17(23)24)7-6-15(13)21/h2-5,9,13,15,18,21H,6-8,10H2,1H3,(H,23,24).
What are the key properties of 4-hydroxy-3-[(1-methyl-4-oxoquinolin-3-yl)methylamino]piperidine-1-carboxylic acid?
4-hydroxy-3-[(1-methyl-4-oxoquinolin-3-yl)methylamino]piperidine-1-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(1-methyl-4-oxoquinolin-3-yl)methylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 175725575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).