[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone

C21H27N3O4 — CID 24791363

IUPAC[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)c2ccccc2n1
InChIInChI=1S/C21H27N3O4/c1-28-20-12-16(15-4-2-3-5-17(15)22-20)21(27)24-11-8-18(19(26)13-24)23-9-6-14(25)7-10-23/h2-5,12,14,18-19,25-26H,6-11,13H2,1H3/t18-,19-/m1/s1
InChIKeyXKHDWWWOCHDXEG-RTBURBONSA-N
MW385.46 g/mol
LogP1.28
Rot. Bonds3

About [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone

[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone (PubChem CID 24791363) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone
PubChem CID24791363
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)c2ccccc2n1
InChIInChI=1S/C21H27N3O4/c1-28-20-12-16(15-4-2-3-5-17(15)22-20)21(27)24-11-8-18(19(26)13-24)23-9-6-14(25)7-10-23/h2-5,12,14,18-19,25-26H,6-11,13H2,1H3/t18-,19-/m1/s1
InChIKeyXKHDWWWOCHDXEG-RTBURBONSA-N
XLogP1.28
TPSA86.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-methoxyquinolin-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

Dibucaine
CID 3025
Dibucaine Hydrochloride
CID 521951
4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-2-(4-ethoxyphenyl)quinoline
CID 3241312
KF 17643
CID 132697
2-Pentyloxy-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44339912
2-Butoxy-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44339913
2-Isobutoxy-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44339933
2-Ethoxy-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44339934
2-Methoxy-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44339951
2-Isopropoxy-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44363536
2-(4-Ethoxyphenyl)-4-[(4-methylpiperazin-1-yl)carbonyl]quinoline
CID 1540951
Ethyl 4-{[2-(4-ethoxyphenyl)quinolin-4-yl]carbonyl}piperazine-1-carboxylate
CID 3237815

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone (CID 24791363) is [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone is COc1cc(C(=O)N2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)c2ccccc2n1.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone?
The InChIKey is XKHDWWWOCHDXEG-RTBURBONSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-28-20-12-16(15-4-2-3-5-17(15)22-20)21(27)24-11-8-18(19(26)13-24)23-9-6-14(25)7-10-23/h2-5,12,14,18-19,25-26H,6-11,13H2,1H3/t18-,19-/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone?
[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone has a molecular weight of 385.46 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone is sourced from PubChem (CID 24791363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).