(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride

C18H23Cl2N3O — CID 119374525

IUPAC(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.NC1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1
InChIInChI=1S/C18H21N3O.2ClH/c19-13-7-9-21(10-8-13)18(22)15-11-17(12-5-6-12)20-16-4-2-1-3-14(15)16;;/h1-4,11-13H,5-10,19H2;2*1H
InChIKeyKPTGJURHYYXOEQ-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.52
Rot. Bonds2

About (4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride

(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride (PubChem CID 119374525) has the molecular formula C18H23Cl2N3O and a molecular weight of 368.31 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
PubChem CID119374525
Molecular FormulaC18H23Cl2N3O
Molecular Weight368.31 g/mol
Exact Mass367.12
IUPAC Name(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.NC1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1
InChIInChI=1S/C18H21N3O.2ClH/c19-13-7-9-21(10-8-13)18(22)15-11-17(12-5-6-12)20-16-4-2-1-3-14(15)16;;/h1-4,11-13H,5-10,19H2;2*1H
InChIKeyKPTGJURHYYXOEQ-UHFFFAOYSA-N
XLogP3.52
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645943
(2-cyclopropylquinolin-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540094
(2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride
CID 119636803
(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78794847
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride
CID 119375996
(4-aminopiperidin-1-yl)-[2-(2,4-dimethylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119373566
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
[2-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119632453
1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid
CID 126838949

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride (CID 119374525) is (4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride is Cl.Cl.NC1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride?
The InChIKey is KPTGJURHYYXOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.2ClH/c19-13-7-9-21(10-8-13)18(22)15-11-17(12-5-6-12)20-16-4-2-1-3-14(15)16;;/h1-4,11-13H,5-10,19H2;2*1H.
What are the key properties of (4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride?
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride has a molecular weight of 368.31 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119374525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).