[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride

C20H26Cl2N6O — CID 119546412

IUPAC[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
SMILESCNCC1CCN(C(=O)c2nnn(-c3cccc4ncccc34)c2C)CC1.Cl.Cl
InChIInChI=1S/C20H24N6O.2ClH/c1-14-19(20(27)25-11-8-15(9-12-25)13-21-2)23-24-26(14)18-7-3-6-17-16(18)5-4-10-22-17;;/h3-7,10,15,21H,8-9,11-13H2,1-2H3;2*1H
InChIKeyQJKSDZIREDCMLM-UHFFFAOYSA-N
MW437.38 g/mol
LogP3.04
Rot. Bonds4

About [4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride

[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride (PubChem CID 119546412) has the molecular formula C20H26Cl2N6O and a molecular weight of 437.38 g/mol. Its IUPAC name is [4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
PubChem CID119546412
Molecular FormulaC20H26Cl2N6O
Molecular Weight437.38 g/mol
Exact Mass436.15
IUPAC Name[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
SMILESCNCC1CCN(C(=O)c2nnn(-c3cccc4ncccc34)c2C)CC1.Cl.Cl
InChIInChI=1S/C20H24N6O.2ClH/c1-14-19(20(27)25-11-8-15(9-12-25)13-21-2)23-24-26(14)18-7-3-6-17-16(18)5-4-10-22-17;;/h3-7,10,15,21H,8-9,11-13H2,1-2H3;2*1H
InChIKeyQJKSDZIREDCMLM-UHFFFAOYSA-N
XLogP3.04
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride with MolForge

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Related Compounds

[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride
CID 119541912
(3-hydroxyazetidin-1-yl)-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone
CID 71919997
[4-(ethylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119645672
(2R)-N-methyl-1-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 95175654
(2S)-4-(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)morpholine-2-carboxylic acid
CID 125120290
(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 111111026
5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride
CID 120576885
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride
CID 119518228
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide
CID 75462810
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119649859
(4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride
CID 119373681
1-[(5-methyl-1-quinolin-5-yltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120530849

Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride?
The IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride (CID 119546412) is [4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride is CNCC1CCN(C(=O)c2nnn(-c3cccc4ncccc34)c2C)CC1.Cl.Cl.
What is the InChIKey of [4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride?
The InChIKey is QJKSDZIREDCMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O.2ClH/c1-14-19(20(27)25-11-8-15(9-12-25)13-21-2)23-24-26(14)18-7-3-6-17-16(18)5-4-10-22-17;;/h3-7,10,15,21H,8-9,11-13H2,1-2H3;2*1H.
What are the key properties of [4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride?
[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride has a molecular weight of 437.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-5-yltriazol-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119546412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).