[4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone

C17H21N3O — CID 115304563

IUPAC[4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCNC1(C)CCN(C(=O)c2ccc3ncccc3c2)CC1
InChIInChI=1S/C17H21N3O/c1-17(18-2)7-10-20(11-8-17)16(21)14-5-6-15-13(12-14)4-3-9-19-15/h3-6,9,12,18H,7-8,10-11H2,1-2H3
InChIKeyGGKNUAVQUMFKNG-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.45
Rot. Bonds2

About [4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone

[4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone (PubChem CID 115304563) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone
PubChem CID115304563
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone
SMILESCNC1(C)CCN(C(=O)c2ccc3ncccc3c2)CC1
InChIInChI=1S/C17H21N3O/c1-17(18-2)7-10-20(11-8-17)16(21)14-5-6-15-13(12-14)4-3-9-19-15/h3-6,9,12,18H,7-8,10-11H2,1-2H3
InChIKeyGGKNUAVQUMFKNG-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 107728799
(3-bromophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304375
(2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
CID 124978041
(3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304505
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
(4-fluoro-3-methylphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304379
[4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone
CID 62850573
(2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
CID 125009721
ethane;quinoline-6-carboxylic acid
CID 91364452
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
CID 78988205
[4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 119624681
[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119398124

Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone?
The IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone (CID 115304563) is [4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone is CNC1(C)CCN(C(=O)c2ccc3ncccc3c2)CC1.
What is the InChIKey of [4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone?
The InChIKey is GGKNUAVQUMFKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(18-2)7-10-20(11-8-17)16(21)14-5-6-15-13(12-14)4-3-9-19-15/h3-6,9,12,18H,7-8,10-11H2,1-2H3.
What are the key properties of [4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone?
[4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone has a molecular weight of 283.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 115304563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).