2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide

C19H26N4O2 — CID 118779443

IUPAC2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1cc(N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)c2ccccc2n1
InChIInChI=1S/C19H26N4O2/c1-13-10-17(14-6-4-5-7-15(14)20-13)21-16-8-9-23(11-18(16)24)12-19(25)22(2)3/h4-7,10,16,18,24H,8-9,11-12H2,1-3H3,(H,20,21)/t16-,18-/m1/s1
InChIKeyTXHBMTQERBTBQT-SJLPKXTDSA-N
MW342.44 g/mol
LogP1.48
Rot. Bonds4

About 2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide

2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 118779443) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID118779443
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCc1cc(N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)c2ccccc2n1
InChIInChI=1S/C19H26N4O2/c1-13-10-17(14-6-4-5-7-15(14)20-13)21-16-8-9-23(11-18(16)24)12-19(25)22(2)3/h4-7,10,16,18,24H,8-9,11-12H2,1-3H3,(H,20,21)/t16-,18-/m1/s1
InChIKeyTXHBMTQERBTBQT-SJLPKXTDSA-N
XLogP1.48
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 121495640
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 118764876
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide
CID 121499951
2-methyl-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 71899433
2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 118769079
cyclopentyl-[3-[(2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]methanone
CID 133366806
trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine
CID 93453736
2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide
CID 3619977
3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66032758
2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376301
1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
CID 10151832
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 118794013

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide (CID 118779443) is 2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide is Cc1cc(N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)c2ccccc2n1.
What is the InChIKey of 2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is TXHBMTQERBTBQT-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-10-17(14-6-4-5-7-15(14)20-13)21-16-8-9-23(11-18(16)24)12-19(25)22(2)3/h4-7,10,16,18,24H,8-9,11-12H2,1-3H3,(H,20,21)/t16-,18-/m1/s1.
What are the key properties of 2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 342.44 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 118779443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).