1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone

C21H27N3O2 — CID 56753212

IUPAC1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESCc1ccc2cc(C3(O)CCN(C(=O)CN4CCCC4)CC3)ccc2n1
InChIInChI=1S/C21H27N3O2/c1-16-4-5-17-14-18(6-7-19(17)22-16)21(26)8-12-24(13-9-21)20(25)15-23-10-2-3-11-23/h4-7,14,26H,2-3,8-13,15H2,1H3
InChIKeyAUEHWJOXONOJCK-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.45
Rot. Bonds3

About 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone

1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 56753212) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
PubChem CID56753212
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESCc1ccc2cc(C3(O)CCN(C(=O)CN4CCCC4)CC3)ccc2n1
InChIInChI=1S/C21H27N3O2/c1-16-4-5-17-14-18(6-7-19(17)22-16)21(26)8-12-24(13-9-21)20(25)15-23-10-2-3-11-23/h4-7,14,26H,2-3,8-13,15H2,1H3
InChIKeyAUEHWJOXONOJCK-UHFFFAOYSA-N
XLogP2.45
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone (CID 56753212) is 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone is Cc1ccc2cc(C3(O)CCN(C(=O)CN4CCCC4)CC3)ccc2n1.
What is the InChIKey of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is AUEHWJOXONOJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-4-5-17-14-18(6-7-19(17)22-16)21(26)8-12-24(13-9-21)20(25)15-23-10-2-3-11-23/h4-7,14,26H,2-3,8-13,15H2,1H3.
What are the key properties of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 353.47 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 56753212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).