[3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone

C17H21N3O — CID 114498251

IUPAC[3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone
SMILESCNC1CCN(C(=O)c2ccnc3ccccc23)CC1C
InChIInChI=1S/C17H21N3O/c1-12-11-20(10-8-15(12)18-2)17(21)14-7-9-19-16-6-4-3-5-13(14)16/h3-7,9,12,15,18H,8,10-11H2,1-2H3
InChIKeyXDUCFAZONUIQPU-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.30
Rot. Bonds2

About [3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone

[3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone (PubChem CID 114498251) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone.

Molecular Properties

Compound Name[3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone
PubChem CID114498251
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone
SMILESCNC1CCN(C(=O)c2ccnc3ccccc23)CC1C
InChIInChI=1S/C17H21N3O/c1-12-11-20(10-8-15(12)18-2)17(21)14-7-9-19-16-6-4-3-5-13(14)16/h3-7,9,12,15,18H,8,10-11H2,1-2H3
InChIKeyXDUCFAZONUIQPU-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methylpiperidin-1-yl)-quinolin-4-ylmethanone
CID 102962196
[3-methyl-4-(methylamino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 114498294
(2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498303
(2-hydroxy-5-methylphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498328
(2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498326
(1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 102801015
(3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone
CID 114509956
ethyl 4-(quinoline-4-carbonyl)piperazine-1-carboxylate
CID 110694883
(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119592520
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-quinolin-4-ylmethanone
CID 154566115
N,3-dimethyl-4-(methylamino)piperidine-1-carboxamide
CID 114498742

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone?
The IUPAC name of [3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone (CID 114498251) is [3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone.
What is the SMILES notation for [3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone?
The canonical SMILES for [3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone is CNC1CCN(C(=O)c2ccnc3ccccc23)CC1C.
What is the InChIKey of [3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone?
The InChIKey is XDUCFAZONUIQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-11-20(10-8-15(12)18-2)17(21)14-7-9-19-16-6-4-3-5-13(14)16/h3-7,9,12,15,18H,8,10-11H2,1-2H3.
What are the key properties of [3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone?
[3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone has a molecular weight of 283.38 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(methylamino)piperidin-1-yl]-quinolin-4-ylmethanone is sourced from PubChem (CID 114498251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).