1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone

C22H30N4O — CID 92583939

IUPAC1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCCCN1CC(=O)N1CCC(c2nc3ccccc3cc2N)CC1
InChIInChI=1S/C22H30N4O/c1-16-6-4-5-11-26(16)15-21(27)25-12-9-17(10-13-25)22-19(23)14-18-7-2-3-8-20(18)24-22/h2-3,7-8,14,16-17H,4-6,9-13,15,23H2,1H3/t16-/m1/s1
InChIKeyBBLAZTQPRHNJLW-MRXNPFEDSA-N
MW366.51 g/mol
LogP3.40
Rot. Bonds3

About 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone

1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone (PubChem CID 92583939) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone
PubChem CID92583939
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCCCN1CC(=O)N1CCC(c2nc3ccccc3cc2N)CC1
InChIInChI=1S/C22H30N4O/c1-16-6-4-5-11-26(16)15-21(27)25-12-9-17(10-13-25)22-19(23)14-18-7-2-3-8-20(18)24-22/h2-3,7-8,14,16-17H,4-6,9-13,15,23H2,1H3/t16-/m1/s1
InChIKeyBBLAZTQPRHNJLW-MRXNPFEDSA-N
XLogP3.40
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone 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

1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(2-methylpiperidin-1-yl)propan-1-one
CID 110221652
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 92552858
1-[2-[2-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 46955386
(5R)-5-[4-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 92576605
(4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 92606329
1-[2-[4-(3-acetamidoquinolin-2-yl)piperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 92550581
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171670553
1-[4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 92583937
(3S)-1-[(3S)-3-(3-aminoquinolin-2-yl)piperidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 92602854
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(2-methylpyrrolidin-1-yl)ethanone
CID 111446715
1-carbazol-9-yl-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 754137
4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 110222610

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone (CID 92583939) is 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone is C[C@@H]1CCCCN1CC(=O)N1CCC(c2nc3ccccc3cc2N)CC1.
What is the InChIKey of 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is BBLAZTQPRHNJLW-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16-6-4-5-11-26(16)15-21(27)25-12-9-17(10-13-25)22-19(23)14-18-7-2-3-8-20(18)24-22/h2-3,7-8,14,16-17H,4-6,9-13,15,23H2,1H3/t16-/m1/s1.
What are the key properties of 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone?
1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 366.51 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminoquinolin-2-yl)piperidin-1-yl]-2-[(2R)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 92583939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).