[3-(ethoxymethyl)piperidin-1-yl]-(4-methoxyquinolin-3-yl)methanone

C19H24N2O3 — CID 71983295

IUPAC[3-(ethoxymethyl)piperidin-1-yl]-(4-methoxyquinolin-3-yl)methanone
SMILESCCOCC1CCCN(C(=O)c2cnc3ccccc3c2OC)C1
InChIInChI=1S/C19H24N2O3/c1-3-24-13-14-7-6-10-21(12-14)19(22)16-11-20-17-9-5-4-8-15(17)18(16)23-2/h4-5,8-9,11,14H,3,6-7,10,12-13H2,1-2H3
InChIKeyZOAKFXYAQSBATB-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.13
Rot. Bonds5

About [3-(ethoxymethyl)piperidin-1-yl]-(4-methoxyquinolin-3-yl)methanone

[3-(ethoxymethyl)piperidin-1-yl]-(4-methoxyquinolin-3-yl)methanone (PubChem CID 71983295) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [3-(ethoxymethyl)piperidin-1-yl]-(4-methoxyquinolin-3-yl)methanone.

Molecular Properties

Compound Name[3-(ethoxymethyl)piperidin-1-yl]-(4-methoxyquinolin-3-yl)methanone
PubChem CID71983295
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[3-(ethoxymethyl)piperidin-1-yl]-(4-methoxyquinolin-3-yl)methanone
SMILESCCOCC1CCCN(C(=O)c2cnc3ccccc3c2OC)C1
InChIInChI=1S/C19H24N2O3/c1-3-24-13-14-7-6-10-21(12-14)19(22)16-11-20-17-9-5-4-8-15(17)18(16)23-2/h4-5,8-9,11,14H,3,6-7,10,12-13H2,1-2H3
InChIKeyZOAKFXYAQSBATB-UHFFFAOYSA-N
XLogP3.13
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
(1-chloroisoquinolin-4-yl)-(3-ethylpiperidin-1-yl)methanone
CID 106765973
6-[3-(ethoxymethyl)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 119129886
(5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 120633127
5-[3-(ethoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110610314
[3-(ethoxymethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110418071
(2-methoxy-3-pyridinyl)-[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124982563
[(3S)-3-(ethoxymethyl)piperidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone
CID 95378554
4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid
CID 61340983
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 124628255
[3-(ethoxymethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 110416469
(3-bromo-4-methoxyphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110610262

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethyl)piperidin-1-yl]-(4-methoxyquinolin-3-yl)methanone?
The IUPAC name of [3-(ethoxymethyl)piperidin-1-yl]-(4-methoxyquinolin-3-yl)methanone (CID 71983295) is [3-(ethoxymethyl)piperidin-1-yl]-(4-methoxyquinolin-3-yl)methanone.
What is the SMILES notation for [3-(ethoxymethyl)piperidin-1-yl]-(4-methoxyquinolin-3-yl)methanone?
The canonical SMILES for [3-(ethoxymethyl)piperidin-1-yl]-(4-methoxyquinolin-3-yl)methanone is CCOCC1CCCN(C(=O)c2cnc3ccccc3c2OC)C1.
What is the InChIKey of [3-(ethoxymethyl)piperidin-1-yl]-(4-methoxyquinolin-3-yl)methanone?
The InChIKey is ZOAKFXYAQSBATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-24-13-14-7-6-10-21(12-14)19(22)16-11-20-17-9-5-4-8-15(17)18(16)23-2/h4-5,8-9,11,14H,3,6-7,10,12-13H2,1-2H3.
What are the key properties of [3-(ethoxymethyl)piperidin-1-yl]-(4-methoxyquinolin-3-yl)methanone?
[3-(ethoxymethyl)piperidin-1-yl]-(4-methoxyquinolin-3-yl)methanone has a molecular weight of 328.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxymethyl)piperidin-1-yl]-(4-methoxyquinolin-3-yl)methanone is sourced from PubChem (CID 71983295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).