(3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride

C18H22Cl2FN3O — CID 119378902

IUPAC(3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.NC1CCCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc23)C1
InChIInChI=1S/C18H20FN3O.2ClH/c19-12-5-6-16-14(8-12)15(9-17(21-16)11-3-4-11)18(23)22-7-1-2-13(20)10-22;;/h5-6,8-9,11,13H,1-4,7,10,20H2;2*1H
InChIKeyZOBXWHBAUAHRAE-UHFFFAOYSA-N
MW386.30 g/mol
LogP3.66
Rot. Bonds2

About (3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride

(3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride (PubChem CID 119378902) has the molecular formula C18H22Cl2FN3O and a molecular weight of 386.30 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
PubChem CID119378902
Molecular FormulaC18H22Cl2FN3O
Molecular Weight386.30 g/mol
Exact Mass385.11
IUPAC Name(3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.NC1CCCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc23)C1
InChIInChI=1S/C18H20FN3O.2ClH/c19-12-5-6-16-14(8-12)15(9-17(21-16)11-3-4-11)18(23)22-7-1-2-13(20)10-22;;/h5-6,8-9,11,13H,1-4,7,10,20H2;2*1H
InChIKeyZOBXWHBAUAHRAE-UHFFFAOYSA-N
XLogP3.66
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119561347
[2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
CID 119467502
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 71870785
(3-aminopiperidin-1-yl)-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone
CID 119380047
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 124611735
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 102978340
[(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone
CID 124593306
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
[3-(1-aminoethyl)piperidin-1-yl]-(6-chloro-2-cyclopropylquinolin-4-yl)methanone
CID 119595298
(3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 120514204
(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride
CID 119379560

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride (CID 119378902) is (3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride is Cl.Cl.NC1CCCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc23)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride?
The InChIKey is ZOBXWHBAUAHRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O.2ClH/c19-12-5-6-16-14(8-12)15(9-17(21-16)11-3-4-11)18(23)22-7-1-2-13(20)10-22;;/h5-6,8-9,11,13H,1-4,7,10,20H2;2*1H.
What are the key properties of (3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride?
(3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride has a molecular weight of 386.30 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119378902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).