(2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone

C18H23N3O — CID 124575490

IUPAC(2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@@H]1CCCN(C(=O)c2cc3cc(C)ccc3nc2C)C1
InChIInChI=1S/C18H23N3O/c1-12-6-7-17-14(9-12)10-16(13(2)20-17)18(22)21-8-4-5-15(11-21)19-3/h6-7,9-10,15,19H,4-5,8,11H2,1-3H3/t15-/m1/s1
InChIKeyAOQCVYUZVWBDGW-OAHLLOKOSA-N
MW297.40 g/mol
LogP2.68
Rot. Bonds2

About (2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone

(2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone (PubChem CID 124575490) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
PubChem CID124575490
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
SMILESCN[C@@H]1CCCN(C(=O)c2cc3cc(C)ccc3nc2C)C1
InChIInChI=1S/C18H23N3O/c1-12-6-7-17-14(9-12)10-16(13(2)20-17)18(22)21-8-4-5-15(11-21)19-3/h6-7,9-10,15,19H,4-5,8,11H2,1-3H3/t15-/m1/s1
InChIKeyAOQCVYUZVWBDGW-OAHLLOKOSA-N
XLogP2.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride
CID 126772613
(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561139
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
(2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95325581
methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate
CID 51284162
1,4-diazepan-1-yl-(2,6-dimethylquinolin-3-yl)methanone
CID 46996879
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone
CID 124691975
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,7-dimethylquinolin-3-yl)methanone
CID 124688867
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
(2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid
CID 124699307
2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51283891
[3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119487602

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone (CID 124575490) is (2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone is CN[C@@H]1CCCN(C(=O)c2cc3cc(C)ccc3nc2C)C1.
What is the InChIKey of (2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is AOQCVYUZVWBDGW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-6-7-17-14(9-12)10-16(13(2)20-17)18(22)21-8-4-5-15(11-21)19-3/h6-7,9-10,15,19H,4-5,8,11H2,1-3H3/t15-/m1/s1.
What are the key properties of (2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone?
(2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 297.40 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 124575490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).