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

C19H24N2O3 — CID 56896209

IUPAC[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
SMILESCc1cc(C)c2c(C(=O)N3CC[C@H](CO)[C@@H](O)C3)cc(C)nc2c1
InChIInChI=1S/C19H24N2O3/c1-11-6-12(2)18-15(8-13(3)20-16(18)7-11)19(24)21-5-4-14(10-22)17(23)9-21/h6-8,14,17,22-23H,4-5,9-10H2,1-3H3/t14-,17+/m1/s1
InChIKeyLCUBHIYDCKSREW-PBHICJAKSA-N
MW328.41 g/mol
LogP1.98
Rot. Bonds2

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

[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone (PubChem CID 56896209) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
PubChem CID56896209
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
SMILESCc1cc(C)c2c(C(=O)N3CC[C@H](CO)[C@@H](O)C3)cc(C)nc2c1
InChIInChI=1S/C19H24N2O3/c1-11-6-12(2)18-15(8-13(3)20-16(18)7-11)19(24)21-5-4-14(10-22)17(23)9-21/h6-8,14,17,22-23H,4-5,9-10H2,1-3H3/t14-,17+/m1/s1
InChIKeyLCUBHIYDCKSREW-PBHICJAKSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone
CID 46999548
[(3R)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
CID 95721965
(2-chloro-5-methylphenyl)-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 155492853
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56883004
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone
CID 56885604
[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
CID 126447898
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone
CID 133124655
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(7-methoxy-2-methylquinolin-4-yl)methanone
CID 126438254
(2,4-difluoro-3-methoxyphenyl)-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56894129
[5-chloro-2-(methylamino)phenyl]-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 134700123
[1-(difluoromethyl)-5-methylpyrazol-3-yl]-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 165425540
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 155507320

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone (CID 56896209) is [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone is Cc1cc(C)c2c(C(=O)N3CC[C@H](CO)[C@@H](O)C3)cc(C)nc2c1.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone?
The InChIKey is LCUBHIYDCKSREW-PBHICJAKSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-11-6-12(2)18-15(8-13(3)20-16(18)7-11)19(24)21-5-4-14(10-22)17(23)9-21/h6-8,14,17,22-23H,4-5,9-10H2,1-3H3/t14-,17+/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone?
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone has a molecular weight of 328.41 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone is sourced from PubChem (CID 56896209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).