[3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride

C17H23Cl2N3O — CID 126772613

IUPAC[3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride
SMILESCNC1CCCN(C(=O)c2cc3ccccc3nc2C)C1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-12-15(10-13-6-3-4-8-16(13)19-12)17(21)20-9-5-7-14(11-20)18-2;;/h3-4,6,8,10,14,18H,5,7,9,11H2,1-2H3;2*1H
InChIKeyNBFSPXKHBBJROD-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.21
Rot. Bonds2

About [3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride

[3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride (PubChem CID 126772613) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride
PubChem CID126772613
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name[3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride
SMILESCNC1CCCN(C(=O)c2cc3ccccc3nc2C)C1.Cl.Cl
InChIInChI=1S/C17H21N3O.2ClH/c1-12-15(10-13-6-3-4-8-16(13)19-12)17(21)20-9-5-7-14(11-20)18-2;;/h3-4,6,8,10,14,18H,5,7,9,11H2,1-2H3;2*1H
InChIKeyNBFSPXKHBBJROD-UHFFFAOYSA-N
XLogP3.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575490
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 155950739
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009
[3-(methylamino)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119490331
[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119493389
[3-(methylamino)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119487602
[3-(methylamino)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 119488384
(5-fluoro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492604
(2-methylquinolin-3-yl)-morpholin-4-ylmethanone
CID 110489563
(7-bromo-2-methylquinolin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575462
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 107098081

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride (CID 126772613) is [3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride is CNC1CCCN(C(=O)c2cc3ccccc3nc2C)C1.Cl.Cl.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride?
The InChIKey is NBFSPXKHBBJROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.2ClH/c1-12-15(10-13-6-3-4-8-16(13)19-12)17(21)20-9-5-7-14(11-20)18-2;;/h3-4,6,8,10,14,18H,5,7,9,11H2,1-2H3;2*1H.
What are the key properties of [3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride?
[3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride has a molecular weight of 356.30 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone;dihydrochloride is sourced from PubChem (CID 126772613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).