[4-(diethylamino)piperidin-1-yl]-(2,6,8-trimethylquinolin-3-yl)methanone

C22H31N3O — CID 46975207

IUPAC[4-(diethylamino)piperidin-1-yl]-(2,6,8-trimethylquinolin-3-yl)methanone
SMILESCCN(CC)C1CCN(C(=O)c2cc3cc(C)cc(C)c3nc2C)CC1
InChIInChI=1S/C22H31N3O/c1-6-24(7-2)19-8-10-25(11-9-19)22(26)20-14-18-13-15(3)12-16(4)21(18)23-17(20)5/h12-14,19H,6-11H2,1-5H3
InChIKeyJNRWOHZKKFSWJU-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.11
Rot. Bonds4

About [4-(diethylamino)piperidin-1-yl]-(2,6,8-trimethylquinolin-3-yl)methanone

[4-(diethylamino)piperidin-1-yl]-(2,6,8-trimethylquinolin-3-yl)methanone (PubChem CID 46975207) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is [4-(diethylamino)piperidin-1-yl]-(2,6,8-trimethylquinolin-3-yl)methanone.

Molecular Properties

Compound Name[4-(diethylamino)piperidin-1-yl]-(2,6,8-trimethylquinolin-3-yl)methanone
PubChem CID46975207
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name[4-(diethylamino)piperidin-1-yl]-(2,6,8-trimethylquinolin-3-yl)methanone
SMILESCCN(CC)C1CCN(C(=O)c2cc3cc(C)cc(C)c3nc2C)CC1
InChIInChI=1S/C22H31N3O/c1-6-24(7-2)19-8-10-25(11-9-19)22(26)20-14-18-13-15(3)12-16(4)21(18)23-17(20)5/h12-14,19H,6-11H2,1-5H3
InChIKeyJNRWOHZKKFSWJU-UHFFFAOYSA-N
XLogP4.11
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)piperidin-1-yl]-(2,6,8-trimethylquinolin-3-yl)methanone?
The IUPAC name of [4-(diethylamino)piperidin-1-yl]-(2,6,8-trimethylquinolin-3-yl)methanone (CID 46975207) is [4-(diethylamino)piperidin-1-yl]-(2,6,8-trimethylquinolin-3-yl)methanone.
What is the SMILES notation for [4-(diethylamino)piperidin-1-yl]-(2,6,8-trimethylquinolin-3-yl)methanone?
The canonical SMILES for [4-(diethylamino)piperidin-1-yl]-(2,6,8-trimethylquinolin-3-yl)methanone is CCN(CC)C1CCN(C(=O)c2cc3cc(C)cc(C)c3nc2C)CC1.
What is the InChIKey of [4-(diethylamino)piperidin-1-yl]-(2,6,8-trimethylquinolin-3-yl)methanone?
The InChIKey is JNRWOHZKKFSWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-6-24(7-2)19-8-10-25(11-9-19)22(26)20-14-18-13-15(3)12-16(4)21(18)23-17(20)5/h12-14,19H,6-11H2,1-5H3.
What are the key properties of [4-(diethylamino)piperidin-1-yl]-(2,6,8-trimethylquinolin-3-yl)methanone?
[4-(diethylamino)piperidin-1-yl]-(2,6,8-trimethylquinolin-3-yl)methanone has a molecular weight of 353.51 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)piperidin-1-yl]-(2,6,8-trimethylquinolin-3-yl)methanone is sourced from PubChem (CID 46975207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).