[(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone

C21H26N2O2 — CID 124983487

IUPAC[(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
SMILESO=C([C@@H]1CCCOC1)N1CCC(Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C21H26N2O2/c24-21(19-4-2-12-25-15-19)23-10-7-16(8-11-23)13-17-5-6-20-18(14-17)3-1-9-22-20/h1,3,5-6,9,14,16,19H,2,4,7-8,10-13,15H2/t19-/m1/s1
InChIKeyNECVOSAEHTVCOA-LJQANCHMSA-N
MW338.45 g/mol
LogP3.44
Rot. Bonds3

About [(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone

[(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone (PubChem CID 124983487) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
PubChem CID124983487
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name[(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
SMILESO=C([C@@H]1CCCOC1)N1CCC(Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C21H26N2O2/c24-21(19-4-2-12-25-15-19)23-10-7-16(8-11-23)13-17-5-6-20-18(14-17)3-1-9-22-20/h1,3,5-6,9,14,16,19H,2,4,7-8,10-13,15H2/t19-/m1/s1
InChIKeyNECVOSAEHTVCOA-LJQANCHMSA-N
XLogP3.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone 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

6-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]quinoline
CID 110090986
pyridazin-4-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124963997
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714
pyrimidin-2-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125019888
tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
CID 174880299
(1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 110090455
[2-(piperidin-1-ylmethyl)phenyl]-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124989355
(1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828739
pyrimidin-4-yl-[(4R)-4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 124975155
(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 124963940
(4-methyl-1,3-oxazol-5-yl)-[4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 110098792
(5-methylpyrazin-2-yl)-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124969677

Frequently Asked Questions

What is the IUPAC name of [(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone (CID 124983487) is [(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone is O=C([C@@H]1CCCOC1)N1CCC(Cc2ccc3ncccc3c2)CC1.
What is the InChIKey of [(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is NECVOSAEHTVCOA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-21(19-4-2-12-25-15-19)23-10-7-16(8-11-23)13-17-5-6-20-18(14-17)3-1-9-22-20/h1,3,5-6,9,14,16,19H,2,4,7-8,10-13,15H2/t19-/m1/s1.
What are the key properties of [(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
[(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxan-3-yl]-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124983487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).