3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide

C20H24N4O — CID 134237253

IUPAC3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CC(C)CC(c2ccc(C#N)c3ncccc23)C1
InChIInChI=1S/C20H24N4O/c1-14-10-16(13-24(12-14)9-7-19(25)22-2)17-6-5-15(11-21)20-18(17)4-3-8-23-20/h3-6,8,14,16H,7,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeySELIQSSEVDUTQI-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.67
Rot. Bonds4

About 3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide

3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide (PubChem CID 134237253) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide
PubChem CID134237253
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CC(C)CC(c2ccc(C#N)c3ncccc23)C1
InChIInChI=1S/C20H24N4O/c1-14-10-16(13-24(12-14)9-7-19(25)22-2)17-6-5-15(11-21)20-18(17)4-3-8-23-20/h3-6,8,14,16H,7,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeySELIQSSEVDUTQI-UHFFFAOYSA-N
XLogP2.67
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide (CID 134237253) is 3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide is CNC(=O)CCN1CC(C)CC(c2ccc(C#N)c3ncccc23)C1.
What is the InChIKey of 3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide?
The InChIKey is SELIQSSEVDUTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-10-16(13-24(12-14)9-7-19(25)22-2)17-6-5-15(11-21)20-18(17)4-3-8-23-20/h3-6,8,14,16H,7,9-10,12-13H2,1-2H3,(H,22,25).
What are the key properties of 3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide?
3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide has a molecular weight of 336.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(8-cyanoquinolin-5-yl)-5-methylpiperidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 134237253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).