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

C20H20N4O — CID 119380128

IUPAC(3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone
SMILESNC1CCCN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)C1
InChIInChI=1S/C20H20N4O/c21-15-6-4-10-24(13-15)20(25)17-11-19(14-5-3-9-22-12-14)23-18-8-2-1-7-16(17)18/h1-3,5,7-9,11-12,15H,4,6,10,13,21H2
InChIKeyLQFKPEXZGYTQOI-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.86
Rot. Bonds2

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

(3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone (PubChem CID 119380128) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone
PubChem CID119380128
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone
SMILESNC1CCCN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)C1
InChIInChI=1S/C20H20N4O/c21-15-6-4-10-24(13-15)20(25)17-11-19(14-5-3-9-22-12-14)23-18-8-2-1-7-16(17)18/h1-3,5,7-9,11-12,15H,4,6,10,13,21H2
InChIKeyLQFKPEXZGYTQOI-UHFFFAOYSA-N
XLogP2.86
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride
CID 119379560
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 24610413
[4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119519440
N-(5-methyl-2-pyridinyl)-1-(2-pyridin-3-ylquinoline-4-carbonyl)piperidine-3-carboxamide
CID 55931994
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
CID 40547748
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 119542238
[2-(3-bromophenyl)quinolin-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 40543105
[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 97148065

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone (CID 119380128) is (3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone is NC1CCCN(C(=O)c2cc(-c3cccnc3)nc3ccccc23)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone?
The InChIKey is LQFKPEXZGYTQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c21-15-6-4-10-24(13-15)20(25)17-11-19(14-5-3-9-22-12-14)23-18-8-2-1-7-16(17)18/h1-3,5,7-9,11-12,15H,4,6,10,13,21H2.
What are the key properties of (3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone?
(3-aminopiperidin-1-yl)-(2-pyridin-3-ylquinolin-4-yl)methanone has a molecular weight of 332.41 g/mol, XLogP of 2.86, 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-3-ylquinolin-4-yl)methanone is sourced from PubChem (CID 119380128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).