(4-pyrrolidin-1-ylpiperidin-1-yl)-(2,6,8-trimethylquinolin-3-yl)methanone

C22H29N3O — CID 46975212

IUPAC(4-pyrrolidin-1-ylpiperidin-1-yl)-(2,6,8-trimethylquinolin-3-yl)methanone
SMILESCc1cc(C)c2nc(C)c(C(=O)N3CCC(N4CCCC4)CC3)cc2c1
InChIInChI=1S/C22H29N3O/c1-15-12-16(2)21-18(13-15)14-20(17(3)23-21)22(26)25-10-6-19(7-11-25)24-8-4-5-9-24/h12-14,19H,4-11H2,1-3H3
InChIKeyYLCJXZNEDKXSKK-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.86
Rot. Bonds2

About (4-pyrrolidin-1-ylpiperidin-1-yl)-(2,6,8-trimethylquinolin-3-yl)methanone

(4-pyrrolidin-1-ylpiperidin-1-yl)-(2,6,8-trimethylquinolin-3-yl)methanone (PubChem CID 46975212) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is (4-pyrrolidin-1-ylpiperidin-1-yl)-(2,6,8-trimethylquinolin-3-yl)methanone.

Molecular Properties

Compound Name(4-pyrrolidin-1-ylpiperidin-1-yl)-(2,6,8-trimethylquinolin-3-yl)methanone
PubChem CID46975212
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name(4-pyrrolidin-1-ylpiperidin-1-yl)-(2,6,8-trimethylquinolin-3-yl)methanone
SMILESCc1cc(C)c2nc(C)c(C(=O)N3CCC(N4CCCC4)CC3)cc2c1
InChIInChI=1S/C22H29N3O/c1-15-12-16(2)21-18(13-15)14-20(17(3)23-21)22(26)25-10-6-19(7-11-25)24-8-4-5-9-24/h12-14,19H,4-11H2,1-3H3
InChIKeyYLCJXZNEDKXSKK-UHFFFAOYSA-N
XLogP3.86
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-pyrrolidin-1-ylpiperidin-1-yl)-(2,6,8-trimethylquinolin-3-yl)methanone?
The IUPAC name of (4-pyrrolidin-1-ylpiperidin-1-yl)-(2,6,8-trimethylquinolin-3-yl)methanone (CID 46975212) is (4-pyrrolidin-1-ylpiperidin-1-yl)-(2,6,8-trimethylquinolin-3-yl)methanone.
What is the SMILES notation for (4-pyrrolidin-1-ylpiperidin-1-yl)-(2,6,8-trimethylquinolin-3-yl)methanone?
The canonical SMILES for (4-pyrrolidin-1-ylpiperidin-1-yl)-(2,6,8-trimethylquinolin-3-yl)methanone is Cc1cc(C)c2nc(C)c(C(=O)N3CCC(N4CCCC4)CC3)cc2c1.
What is the InChIKey of (4-pyrrolidin-1-ylpiperidin-1-yl)-(2,6,8-trimethylquinolin-3-yl)methanone?
The InChIKey is YLCJXZNEDKXSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-15-12-16(2)21-18(13-15)14-20(17(3)23-21)22(26)25-10-6-19(7-11-25)24-8-4-5-9-24/h12-14,19H,4-11H2,1-3H3.
What are the key properties of (4-pyrrolidin-1-ylpiperidin-1-yl)-(2,6,8-trimethylquinolin-3-yl)methanone?
(4-pyrrolidin-1-ylpiperidin-1-yl)-(2,6,8-trimethylquinolin-3-yl)methanone has a molecular weight of 351.49 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrrolidin-1-ylpiperidin-1-yl)-(2,6,8-trimethylquinolin-3-yl)methanone is sourced from PubChem (CID 46975212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).