1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one

C20H26N2O2 — CID 70514644

IUPAC1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one
SMILESCC[C@H]1CNCCC1CC(=O)Cc1ccnc2ccc(OC)cc12
InChIInChI=1S/C20H26N2O2/c1-3-14-13-21-8-6-15(14)10-17(23)11-16-7-9-22-20-5-4-18(24-2)12-19(16)20/h4-5,7,9,12,14-15,21H,3,6,8,10-11,13H2,1-2H3/t14-,15?/m0/s1
InChIKeyIYOBPESMZDYOFK-MLCCFXAWSA-N
MW326.44 g/mol
LogP3.38
Rot. Bonds6

About 1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one

1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one (PubChem CID 70514644) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one
PubChem CID70514644
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one
SMILESCC[C@H]1CNCCC1CC(=O)Cc1ccnc2ccc(OC)cc12
InChIInChI=1S/C20H26N2O2/c1-3-14-13-21-8-6-15(14)10-17(23)11-16-7-9-22-20-5-4-18(24-2)12-19(16)20/h4-5,7,9,12,14-15,21H,3,6,8,10-11,13H2,1-2H3/t14-,15?/m0/s1
InChIKeyIYOBPESMZDYOFK-MLCCFXAWSA-N
XLogP3.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one
CID 178187525
2-[(3R,4R)-4-[3-(6-methoxyquinolin-4-yl)propyl]piperidin-3-yl]acetic acid
CID 21347710
(2R)-1-[(3R,4S)-3-ethenylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-ol
CID 165341819
(3R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 70178018
3-(3-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-one
CID 3831557
3-[4-[3-(6-methoxyquinolin-4-yl)propyl]phenyl]prop-2-ynyl (3R)-piperidine-3-carboxylate
CID 70102404
6-methoxy-4-(3-piperidin-3-ylpropyl)quinoline
CID 12799878
3-[(3S,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-one;hydrochloride
CID 22813412
ethyl 3-(6-methoxyquinolin-4-yl)propanoate
CID 66736782
N-[2-(6-methoxyquinolin-4-yl)ethyl]cyclopropanecarboxamide
CID 19709964
3-(6-methoxyquinolin-4-yl)propanal
CID 10751165
(1R)-3-[(3R,4R)-3-ethenylpiperidin-4-yl]-1-(6-methoxyquinolin-4-yl)propan-1-ol;dihydrochloride
CID 3068229

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one?
The IUPAC name of 1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one (CID 70514644) is 1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one.
What is the SMILES notation for 1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one?
The canonical SMILES for 1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one is CC[C@H]1CNCCC1CC(=O)Cc1ccnc2ccc(OC)cc12.
What is the InChIKey of 1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one?
The InChIKey is IYOBPESMZDYOFK-MLCCFXAWSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-14-13-21-8-6-15(14)10-17(23)11-16-7-9-22-20-5-4-18(24-2)12-19(16)20/h4-5,7,9,12,14-15,21H,3,6,8,10-11,13H2,1-2H3/t14-,15?/m0/s1.
What are the key properties of 1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one?
1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one has a molecular weight of 326.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-ethylpiperidin-4-yl]-3-(6-methoxyquinolin-4-yl)propan-2-one is sourced from PubChem (CID 70514644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).