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

C20H27N3O3 — CID 95228250

IUPAC(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-3-ylmethyl)amino]methyl]piperidin-2-one
SMILESCOCCN1CCC[C@](O)(CN(C)Cc2cnc3ccccc3c2)C1=O
InChIInChI=1S/C20H27N3O3/c1-22(14-16-12-17-6-3-4-7-18(17)21-13-16)15-20(25)8-5-9-23(19(20)24)10-11-26-2/h3-4,6-7,12-13,25H,5,8-11,14-15H2,1-2H3/t20-/m0/s1
InChIKeyCDPLKRWSUHADPE-FQEVSTJZSA-N
MW357.45 g/mol
LogP1.67
Rot. Bonds7

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

(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-3-ylmethyl)amino]methyl]piperidin-2-one (PubChem CID 95228250) 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-3-ylmethyl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-3-ylmethyl)amino]methyl]piperidin-2-one
PubChem CID95228250
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-3-ylmethyl)amino]methyl]piperidin-2-one
SMILESCOCCN1CCC[C@](O)(CN(C)Cc2cnc3ccccc3c2)C1=O
InChIInChI=1S/C20H27N3O3/c1-22(14-16-12-17-6-3-4-7-18(17)21-13-16)15-20(25)8-5-9-23(19(20)24)10-11-26-2/h3-4,6-7,12-13,25H,5,8-11,14-15H2,1-2H3/t20-/m0/s1
InChIKeyCDPLKRWSUHADPE-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-3-ylmethyl)amino]methyl]piperidin-2-one?
The IUPAC name of (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-3-ylmethyl)amino]methyl]piperidin-2-one (CID 95228250) is (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-3-ylmethyl)amino]methyl]piperidin-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-3-ylmethyl)amino]methyl]piperidin-2-one?
The canonical SMILES for (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-3-ylmethyl)amino]methyl]piperidin-2-one is COCCN1CCC[C@](O)(CN(C)Cc2cnc3ccccc3c2)C1=O.
What is the InChIKey of (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-3-ylmethyl)amino]methyl]piperidin-2-one?
The InChIKey is CDPLKRWSUHADPE-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-22(14-16-12-17-6-3-4-7-18(17)21-13-16)15-20(25)8-5-9-23(19(20)24)10-11-26-2/h3-4,6-7,12-13,25H,5,8-11,14-15H2,1-2H3/t20-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-3-ylmethyl)amino]methyl]piperidin-2-one?
(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-3-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-3-ylmethyl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 95228250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).