1-[1-(8-methylquinolin-4-yl)piperidin-4-yl]piperidin-2-one

C20H25N3O — CID 133369326

IUPAC1-[1-(8-methylquinolin-4-yl)piperidin-4-yl]piperidin-2-one
SMILESCc1cccc2c(N3CCC(N4CCCCC4=O)CC3)ccnc12
InChIInChI=1S/C20H25N3O/c1-15-5-4-6-17-18(8-11-21-20(15)17)22-13-9-16(10-14-22)23-12-3-2-7-19(23)24/h4-6,8,11,16H,2-3,7,9-10,12-14H2,1H3
InChIKeyWCKNPAHQINJUSK-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.52
Rot. Bonds2

About 1-[1-(8-methylquinolin-4-yl)piperidin-4-yl]piperidin-2-one

1-[1-(8-methylquinolin-4-yl)piperidin-4-yl]piperidin-2-one (PubChem CID 133369326) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[1-(8-methylquinolin-4-yl)piperidin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-(8-methylquinolin-4-yl)piperidin-4-yl]piperidin-2-one
PubChem CID133369326
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[1-(8-methylquinolin-4-yl)piperidin-4-yl]piperidin-2-one
SMILESCc1cccc2c(N3CCC(N4CCCCC4=O)CC3)ccnc12
InChIInChI=1S/C20H25N3O/c1-15-5-4-6-17-18(8-11-21-20(15)17)22-13-9-16(10-14-22)23-12-3-2-7-19(23)24/h4-6,8,11,16H,2-3,7,9-10,12-14H2,1H3
InChIKeyWCKNPAHQINJUSK-UHFFFAOYSA-N
XLogP3.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(8-methylquinolin-4-yl)piperidin-4-yl]piperidin-2-one?
The IUPAC name of 1-[1-(8-methylquinolin-4-yl)piperidin-4-yl]piperidin-2-one (CID 133369326) is 1-[1-(8-methylquinolin-4-yl)piperidin-4-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-(8-methylquinolin-4-yl)piperidin-4-yl]piperidin-2-one?
The canonical SMILES for 1-[1-(8-methylquinolin-4-yl)piperidin-4-yl]piperidin-2-one is Cc1cccc2c(N3CCC(N4CCCCC4=O)CC3)ccnc12.
What is the InChIKey of 1-[1-(8-methylquinolin-4-yl)piperidin-4-yl]piperidin-2-one?
The InChIKey is WCKNPAHQINJUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-5-4-6-17-18(8-11-21-20(15)17)22-13-9-16(10-14-22)23-12-3-2-7-19(23)24/h4-6,8,11,16H,2-3,7,9-10,12-14H2,1H3.
What are the key properties of 1-[1-(8-methylquinolin-4-yl)piperidin-4-yl]piperidin-2-one?
1-[1-(8-methylquinolin-4-yl)piperidin-4-yl]piperidin-2-one has a molecular weight of 323.44 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(8-methylquinolin-4-yl)piperidin-4-yl]piperidin-2-one is sourced from PubChem (CID 133369326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).