[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C20H25N3O — CID 133467900

IUPAC[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc2nccc(N3CCC(C(=O)N4CCCC4)CC3)c2c1
InChIInChI=1S/C20H25N3O/c1-15-4-5-18-17(14-15)19(6-9-21-18)22-12-7-16(8-13-22)20(24)23-10-2-3-11-23/h4-6,9,14,16H,2-3,7-8,10-13H2,1H3
InChIKeyIGJJKLBJGXOJPO-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.38
Rot. Bonds2

About [1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 133467900) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID133467900
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc2nccc(N3CCC(C(=O)N4CCCC4)CC3)c2c1
InChIInChI=1S/C20H25N3O/c1-15-4-5-18-17(14-15)19(6-9-21-18)22-12-7-16(8-13-22)20(24)23-10-2-3-11-23/h4-6,9,14,16H,2-3,7-8,10-13H2,1H3
InChIKeyIGJJKLBJGXOJPO-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone
CID 91952340
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone
CID 91952338
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
1-(6-methylquinolin-4-yl)piperidin-4-ol
CID 133467187
4-(azepan-1-yl)-6-methylquinoline
CID 133466822
2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 133467687
6-methyl-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002630
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 91952391
[1-(7-bromo-1,5-naphthyridin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481700
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91952359
4-(4-ethoxypiperidin-1-yl)-6-methylquinoline
CID 133466649
1-(6-chloroquinolin-4-yl)piperidine-4-carboxylic acid
CID 71563708

Frequently Asked Questions

What is the IUPAC name of [1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 133467900) is [1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1ccc2nccc(N3CCC(C(=O)N4CCCC4)CC3)c2c1.
What is the InChIKey of [1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is IGJJKLBJGXOJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-4-5-18-17(14-15)19(6-9-21-18)22-12-7-16(8-13-22)20(24)23-10-2-3-11-23/h4-6,9,14,16H,2-3,7-8,10-13H2,1H3.
What are the key properties of [1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 323.44 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 133467900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).