(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride

C20H22Cl2N4O — CID 119379560

IUPAC(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.NC1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)C1
InChIInChI=1S/C20H20N4O.2ClH/c21-15-4-3-11-24(13-15)20(25)17-12-19(14-7-9-22-10-8-14)23-18-6-2-1-5-16(17)18;;/h1-2,5-10,12,15H,3-4,11,13,21H2;2*1H
InChIKeyMVNHIODPSIPXMN-UHFFFAOYSA-N
MW405.33 g/mol
LogP3.70
Rot. Bonds2

About (3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride

(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride (PubChem CID 119379560) has the molecular formula C20H22Cl2N4O and a molecular weight of 405.33 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride
PubChem CID119379560
Molecular FormulaC20H22Cl2N4O
Molecular Weight405.33 g/mol
Exact Mass404.12
IUPAC Name(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.NC1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)C1
InChIInChI=1S/C20H20N4O.2ClH/c21-15-4-3-11-24(13-15)20(25)17-12-19(14-7-9-22-10-8-14)23-18-6-2-1-5-16(17)18;;/h1-2,5-10,12,15H,3-4,11,13,21H2;2*1H
InChIKeyMVNHIODPSIPXMN-UHFFFAOYSA-N
XLogP3.70
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119380128
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
[(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 97279020
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 120814720
(2-phenylmorpholin-4-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 42653328
[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 119594358
ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
CID 40547748
[2-(4-methoxyphenyl)quinolin-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396458
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 119542238
[(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

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride (CID 119379560) is (3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride is Cl.Cl.NC1CCCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride?
The InChIKey is MVNHIODPSIPXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O.2ClH/c21-15-4-3-11-24(13-15)20(25)17-12-19(14-7-9-22-10-8-14)23-18-6-2-1-5-16(17)18;;/h1-2,5-10,12,15H,3-4,11,13,21H2;2*1H.
What are the key properties of (3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride?
(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride has a molecular weight of 405.33 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119379560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).