1-[(3R,5R)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone

C24H33N3O — CID 134229340

IUPAC1-[(3R,5R)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
SMILESCc1ccc([C@H]2C[C@@H](C)CN(C(=O)CC3CCN(C)CC3)C2)c2cccnc12
InChIInChI=1S/C24H33N3O/c1-17-13-20(21-7-6-18(2)24-22(21)5-4-10-25-24)16-27(15-17)23(28)14-19-8-11-26(3)12-9-19/h4-7,10,17,19-20H,8-9,11-16H2,1-3H3/t17-,20+/m1/s1
InChIKeySAROIEHZOPJNAD-XLIONFOSSA-N
MW379.55 g/mol
LogP4.23
Rot. Bonds3

About 1-[(3R,5R)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone

1-[(3R,5R)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone (PubChem CID 134229340) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-[(3R,5R)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[(3R,5R)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
PubChem CID134229340
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name1-[(3R,5R)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
SMILESCc1ccc([C@H]2C[C@@H](C)CN(C(=O)CC3CCN(C)CC3)C2)c2cccnc12
InChIInChI=1S/C24H33N3O/c1-17-13-20(21-7-6-18(2)24-22(21)5-4-10-25-24)16-27(15-17)23(28)14-19-8-11-26(3)12-9-19/h4-7,10,17,19-20H,8-9,11-16H2,1-3H3/t17-,20+/m1/s1
InChIKeySAROIEHZOPJNAD-XLIONFOSSA-N
XLogP4.23
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5R)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
The IUPAC name of 1-[(3R,5R)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone (CID 134229340) is 1-[(3R,5R)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[(3R,5R)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-[(3R,5R)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone is Cc1ccc([C@H]2C[C@@H](C)CN(C(=O)CC3CCN(C)CC3)C2)c2cccnc12.
What is the InChIKey of 1-[(3R,5R)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
The InChIKey is SAROIEHZOPJNAD-XLIONFOSSA-N. The full InChI is InChI=1S/C24H33N3O/c1-17-13-20(21-7-6-18(2)24-22(21)5-4-10-25-24)16-27(15-17)23(28)14-19-8-11-26(3)12-9-19/h4-7,10,17,19-20H,8-9,11-16H2,1-3H3/t17-,20+/m1/s1.
What are the key properties of 1-[(3R,5R)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone?
1-[(3R,5R)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone has a molecular weight of 379.55 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5R)-3-methyl-5-(8-methylquinolin-5-yl)piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 134229340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).