[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone

C19H24N2O3 — CID 155502249

IUPAC[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone
SMILESCCC[C@@]1(CO)CN(C(=O)c2cnc3ccccc3c2)CC[C@H]1O
InChIInChI=1S/C19H24N2O3/c1-2-8-19(13-22)12-21(9-7-17(19)23)18(24)15-10-14-5-3-4-6-16(14)20-11-15/h3-6,10-11,17,22-23H,2,7-9,12-13H2,1H3/t17-,19+/m1/s1
InChIKeyIWQRQGIXZKJXRX-MJGOQNOKSA-N
MW328.41 g/mol
LogP2.22
Rot. Bonds4

About [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone

[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone (PubChem CID 155502249) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone.

Molecular Properties

Compound Name[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone
PubChem CID155502249
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone
SMILESCCC[C@@]1(CO)CN(C(=O)c2cnc3ccccc3c2)CC[C@H]1O
InChIInChI=1S/C19H24N2O3/c1-2-8-19(13-22)12-21(9-7-17(19)23)18(24)15-10-14-5-3-4-6-16(14)20-11-15/h3-6,10-11,17,22-23H,2,7-9,12-13H2,1H3/t17-,19+/m1/s1
InChIKeyIWQRQGIXZKJXRX-MJGOQNOKSA-N
XLogP2.22
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone with MolForge

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Related Compounds

(5-chloro-3-pyridinyl)-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155495563
[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(3-phenoxyphenyl)methanone
CID 155499464
(2,6-dimethylpyrimidin-4-yl)-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155498555
(3-fluoro-5-methylphenyl)-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155499155
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(2-methyl-1-benzofuran-7-yl)methanone
CID 155496131
[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 155506478
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
CID 56890746
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 155505171
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 155508898
1-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 155492666
[(4aS,8aS)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-quinolin-3-ylmethanone
CID 97363098
(3S,4S)-3-(hydroxymethyl)-1-(2-methylquinolin-4-yl)-3-propylpiperidin-4-ol
CID 155503992

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone?
The IUPAC name of [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone (CID 155502249) is [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone.
What is the SMILES notation for [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone?
The canonical SMILES for [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone is CCC[C@@]1(CO)CN(C(=O)c2cnc3ccccc3c2)CC[C@H]1O.
What is the InChIKey of [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone?
The InChIKey is IWQRQGIXZKJXRX-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-8-19(13-22)12-21(9-7-17(19)23)18(24)15-10-14-5-3-4-6-16(14)20-11-15/h3-6,10-11,17,22-23H,2,7-9,12-13H2,1H3/t17-,19+/m1/s1.
What are the key properties of [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone?
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone has a molecular weight of 328.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone is sourced from PubChem (CID 155502249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).