3-(dibenzylamino)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-one

C31H33N3O3 — CID 68565740

IUPAC3-(dibenzylamino)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-one
SMILESCOc1ccc2nccc(C(O)CN3CCCC(N(Cc4ccccc4)Cc4ccccc4)C3=O)c2c1
InChIInChI=1S/C31H33N3O3/c1-37-25-14-15-28-27(19-25)26(16-17-32-28)30(35)22-33-18-8-13-29(31(33)36)34(20-23-9-4-2-5-10-23)21-24-11-6-3-7-12-24/h2-7,9-12,14-17,19,29-30,35H,8,13,18,20-22H2,1H3
InChIKeyGEGJOWLEPNTQFF-UHFFFAOYSA-N
MW495.62 g/mol
LogP4.97
Rot. Bonds9

About 3-(dibenzylamino)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-one

3-(dibenzylamino)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-one (PubChem CID 68565740) has the molecular formula C31H33N3O3 and a molecular weight of 495.62 g/mol. Its IUPAC name is 3-(dibenzylamino)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name3-(dibenzylamino)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-one
PubChem CID68565740
Molecular FormulaC31H33N3O3
Molecular Weight495.62 g/mol
Exact Mass495.25
IUPAC Name3-(dibenzylamino)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-one
SMILESCOc1ccc2nccc(C(O)CN3CCCC(N(Cc4ccccc4)Cc4ccccc4)C3=O)c2c1
InChIInChI=1S/C31H33N3O3/c1-37-25-14-15-28-27(19-25)26(16-17-32-28)30(35)22-33-18-8-13-29(31(33)36)34(20-23-9-4-2-5-10-23)21-24-11-6-3-7-12-24/h2-7,9-12,14-17,19,29-30,35H,8,13,18,20-22H2,1H3
InChIKeyGEGJOWLEPNTQFF-UHFFFAOYSA-N
XLogP4.97
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(dibenzylamino)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-one with MolForge

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Related Compounds

1-[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]-3-phenylpropan-2-ol
CID 44535107
6-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-2-oxopiperidin-3-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 91351616
(1R)-2-[4-(1H-benzimidazol-2-ylmethylamino)piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol;oxalic acid
CID 44534836
1-(6-methoxyquinolin-4-yl)-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanol
CID 22386516
2-[5-(hydroxymethyl)-1,4-diazocan-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol
CID 142884528
(E)-1-[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]-4-phenylbut-3-en-1-one;oxalic acid
CID 131737682
(1R)-2-[4-[[1-(1,3-dioxol-4-yl)-2-phenylethyl]amino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol
CID 69373184
(E)-1-[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]-4-phenylbut-3-en-1-one
CID 10113607
6-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-3H-quinazolin-4-one;oxalic acid
CID 135929376
2-(4-benzylpiperazin-1-yl)-N-[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44535502
2-[(3S)-3-[(2,1,3-benzothiadiazol-5-ylmethylamino)methyl]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol
CID 58603132
(1R)-2-[4-[(3-fluoro-1H-indol-2-yl)methylamino]piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol;oxalic acid
CID 44535578

Frequently Asked Questions

What is the IUPAC name of 3-(dibenzylamino)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-one?
The IUPAC name of 3-(dibenzylamino)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-one (CID 68565740) is 3-(dibenzylamino)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-one.
What is the SMILES notation for 3-(dibenzylamino)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-one?
The canonical SMILES for 3-(dibenzylamino)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-one is COc1ccc2nccc(C(O)CN3CCCC(N(Cc4ccccc4)Cc4ccccc4)C3=O)c2c1.
What is the InChIKey of 3-(dibenzylamino)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-one?
The InChIKey is GEGJOWLEPNTQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O3/c1-37-25-14-15-28-27(19-25)26(16-17-32-28)30(35)22-33-18-8-13-29(31(33)36)34(20-23-9-4-2-5-10-23)21-24-11-6-3-7-12-24/h2-7,9-12,14-17,19,29-30,35H,8,13,18,20-22H2,1H3.
What are the key properties of 3-(dibenzylamino)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-one?
3-(dibenzylamino)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-one has a molecular weight of 495.62 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibenzylamino)-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-2-one is sourced from PubChem (CID 68565740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).