(4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride

C18H22Cl2N6O — CID 119373681

IUPAC(4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride
SMILESCc1c(C(=O)N2CCC(N)CC2)nnn1-c1ccc2ncccc2c1.Cl.Cl
InChIInChI=1S/C18H20N6O.2ClH/c1-12-17(18(25)23-9-6-14(19)7-10-23)21-22-24(12)15-4-5-16-13(11-15)3-2-8-20-16;;/h2-5,8,11,14H,6-7,9-10,19H2,1H3;2*1H
InChIKeyLQMOEGGDDAATJU-UHFFFAOYSA-N
MW409.32 g/mol
LogP2.53
Rot. Bonds2

About (4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride

(4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride (PubChem CID 119373681) has the molecular formula C18H22Cl2N6O and a molecular weight of 409.32 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride
PubChem CID119373681
Molecular FormulaC18H22Cl2N6O
Molecular Weight409.32 g/mol
Exact Mass408.12
IUPAC Name(4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride
SMILESCc1c(C(=O)N2CCC(N)CC2)nnn1-c1ccc2ncccc2c1.Cl.Cl
InChIInChI=1S/C18H20N6O.2ClH/c1-12-17(18(25)23-9-6-14(19)7-10-23)21-22-24(12)15-4-5-16-13(11-15)3-2-8-20-16;;/h2-5,8,11,14H,6-7,9-10,19H2,1H3;2*1H
InChIKeyLQMOEGGDDAATJU-UHFFFAOYSA-N
XLogP2.53
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride (CID 119373681) is (4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride is Cc1c(C(=O)N2CCC(N)CC2)nnn1-c1ccc2ncccc2c1.Cl.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride?
The InChIKey is LQMOEGGDDAATJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O.2ClH/c1-12-17(18(25)23-9-6-14(19)7-10-23)21-22-24(12)15-4-5-16-13(11-15)3-2-8-20-16;;/h2-5,8,11,14H,6-7,9-10,19H2,1H3;2*1H.
What are the key properties of (4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride?
(4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride has a molecular weight of 409.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119373681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).