[3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone

C17H21N3O — CID 119488384

IUPAC[3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
SMILESCNC1CCCN(C(=O)c2cc(C)c3ccccc3n2)C1
InChIInChI=1S/C17H21N3O/c1-12-10-16(19-15-8-4-3-7-14(12)15)17(21)20-9-5-6-13(11-20)18-2/h3-4,7-8,10,13,18H,5-6,9,11H2,1-2H3
InChIKeyGLSWCKGFQNYAQL-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.37
Rot. Bonds2

About [3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone

[3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone (PubChem CID 119488384) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
PubChem CID119488384
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
SMILESCNC1CCCN(C(=O)c2cc(C)c3ccccc3n2)C1
InChIInChI=1S/C17H21N3O/c1-12-10-16(19-15-8-4-3-7-14(12)15)17(21)20-9-5-6-13(11-20)18-2/h3-4,7-8,10,13,18H,5-6,9,11H2,1-2H3
InChIKeyGLSWCKGFQNYAQL-UHFFFAOYSA-N
XLogP2.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone (CID 119488384) is [3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone is CNC1CCCN(C(=O)c2cc(C)c3ccccc3n2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone?
The InChIKey is GLSWCKGFQNYAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-10-16(19-15-8-4-3-7-14(12)15)17(21)20-9-5-6-13(11-20)18-2/h3-4,7-8,10,13,18H,5-6,9,11H2,1-2H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone?
[3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone has a molecular weight of 283.38 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone is sourced from PubChem (CID 119488384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).