[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone

C19H24N2O3 — CID 95721965

IUPAC[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
SMILESCc1cc(C)c2c(C(=O)N3CCC[C@](O)(CO)C3)cc(C)nc2c1
InChIInChI=1S/C19H24N2O3/c1-12-7-13(2)17-15(9-14(3)20-16(17)8-12)18(23)21-6-4-5-19(24,10-21)11-22/h7-9,22,24H,4-6,10-11H2,1-3H3/t19-/m1/s1
InChIKeyHZSKQJSBDCMUGA-LJQANCHMSA-N
MW328.41 g/mol
LogP2.12
Rot. Bonds2

About [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone

[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone (PubChem CID 95721965) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
PubChem CID95721965
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
SMILESCc1cc(C)c2c(C(=O)N3CCC[C@](O)(CO)C3)cc(C)nc2c1
InChIInChI=1S/C19H24N2O3/c1-12-7-13(2)17-15(9-14(3)20-16(17)8-12)18(23)21-6-4-5-19(24,10-21)11-22/h7-9,22,24H,4-6,10-11H2,1-3H3/t19-/m1/s1
InChIKeyHZSKQJSBDCMUGA-LJQANCHMSA-N
XLogP2.12
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
CID 126447898
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
CID 56896209
[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 99992334
(2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone
CID 46999548
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95724430
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 56909422
[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 95720301
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
CID 56890746
[5-(diethylaminomethyl)-2-methylfuran-3-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56910464
(5-ethyl-1-benzofuran-3-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 122152358
(6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56900534
(6-chloroimidazo[1,2-a]pyridin-2-yl)-[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 95713723

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone?
The IUPAC name of [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone (CID 95721965) is [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone.
What is the SMILES notation for [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone?
The canonical SMILES for [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone is Cc1cc(C)c2c(C(=O)N3CCC[C@](O)(CO)C3)cc(C)nc2c1.
What is the InChIKey of [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone?
The InChIKey is HZSKQJSBDCMUGA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-7-13(2)17-15(9-14(3)20-16(17)8-12)18(23)21-6-4-5-19(24,10-21)11-22/h7-9,22,24H,4-6,10-11H2,1-3H3/t19-/m1/s1.
What are the key properties of [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone?
[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone has a molecular weight of 328.41 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone is sourced from PubChem (CID 95721965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).