(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-6-ylmethyl)amino]methyl]piperidin-2-one

C20H27N3O3 — CID 95188478

IUPAC(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-6-ylmethyl)amino]methyl]piperidin-2-one
SMILESCOCCN1CCC[C@](O)(CN(C)Cc2ccc3ncccc3c2)C1=O
InChIInChI=1S/C20H27N3O3/c1-22(14-16-6-7-18-17(13-16)5-3-9-21-18)15-20(25)8-4-10-23(19(20)24)11-12-26-2/h3,5-7,9,13,25H,4,8,10-12,14-15H2,1-2H3/t20-/m0/s1
InChIKeyGXBDFPAAEJFNKL-FQEVSTJZSA-N
MW357.45 g/mol
LogP1.67
Rot. Bonds7

About (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-6-ylmethyl)amino]methyl]piperidin-2-one

(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-6-ylmethyl)amino]methyl]piperidin-2-one (PubChem CID 95188478) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-6-ylmethyl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-6-ylmethyl)amino]methyl]piperidin-2-one
PubChem CID95188478
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-6-ylmethyl)amino]methyl]piperidin-2-one
SMILESCOCCN1CCC[C@](O)(CN(C)Cc2ccc3ncccc3c2)C1=O
InChIInChI=1S/C20H27N3O3/c1-22(14-16-6-7-18-17(13-16)5-3-9-21-18)15-20(25)8-4-10-23(19(20)24)11-12-26-2/h3,5-7,9,13,25H,4,8,10-12,14-15H2,1-2H3/t20-/m0/s1
InChIKeyGXBDFPAAEJFNKL-FQEVSTJZSA-N
XLogP1.67
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-6-ylmethyl)amino]methyl]piperidin-2-one?
The IUPAC name of (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-6-ylmethyl)amino]methyl]piperidin-2-one (CID 95188478) is (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-6-ylmethyl)amino]methyl]piperidin-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-6-ylmethyl)amino]methyl]piperidin-2-one?
The canonical SMILES for (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-6-ylmethyl)amino]methyl]piperidin-2-one is COCCN1CCC[C@](O)(CN(C)Cc2ccc3ncccc3c2)C1=O.
What is the InChIKey of (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-6-ylmethyl)amino]methyl]piperidin-2-one?
The InChIKey is GXBDFPAAEJFNKL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-22(14-16-6-7-18-17(13-16)5-3-9-21-18)15-20(25)8-4-10-23(19(20)24)11-12-26-2/h3,5-7,9,13,25H,4,8,10-12,14-15H2,1-2H3/t20-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-6-ylmethyl)amino]methyl]piperidin-2-one?
(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-6-ylmethyl)amino]methyl]piperidin-2-one has a molecular weight of 357.45 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-6-ylmethyl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 95188478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).