2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide

C28H36N6O — CID 73389427

IUPAC2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide
SMILESCc1cc(N2CCNCC2)nc2ccc(NC(=O)CNC3CCN(Cc4ccccc4)CC3)cc12
InChIInChI=1S/C28H36N6O/c1-21-17-27(34-15-11-29-12-16-34)32-26-8-7-24(18-25(21)26)31-28(35)19-30-23-9-13-33(14-10-23)20-22-5-3-2-4-6-22/h2-8,17-18,23,29-30H,9-16,19-20H2,1H3,(H,31,35)
InChIKeyPQSWAEWZAQVQHE-UHFFFAOYSA-N
MW472.64 g/mol
LogP3.15
Rot. Bonds7

About 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide

2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide (PubChem CID 73389427) has the molecular formula C28H36N6O and a molecular weight of 472.64 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide
PubChem CID73389427
Molecular FormulaC28H36N6O
Molecular Weight472.64 g/mol
Exact Mass472.30
IUPAC Name2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide
SMILESCc1cc(N2CCNCC2)nc2ccc(NC(=O)CNC3CCN(Cc4ccccc4)CC3)cc12
InChIInChI=1S/C28H36N6O/c1-21-17-27(34-15-11-29-12-16-34)32-26-8-7-24(18-25(21)26)31-28(35)19-30-23-9-13-33(14-10-23)20-22-5-3-2-4-6-22/h2-8,17-18,23,29-30H,9-16,19-20H2,1H3,(H,31,35)
InChIKeyPQSWAEWZAQVQHE-UHFFFAOYSA-N
XLogP3.15
TPSA72.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.64
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide 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-(1-benzylpiperidin-4-yl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea
CID 45489314
4-(4-benzylpiperazin-1-yl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)-4-oxobutanamide
CID 15997126
N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]butanediamide
CID 46503375
N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-4-methyl-2-(4-methylpiperazin-1-yl)quinoline-6-carboxamide
CID 73388851
N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide
CID 15995206
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364144
2-acetamido-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)acetamide
CID 5067109
tert-butyl 4-[6-[[2-[(1-benzylpiperidin-4-yl)-(2-nitrophenyl)sulfonylamino]acetyl]amino]-4-methylquinolin-2-yl]piperazine-1-carboxylate
CID 144582887
2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide
CID 22421737
N-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide
CID 73388766
4-methyl-2-piperazin-1-ylquinoline
CID 598754
2-[(1-benzylpiperidin-4-yl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide chloride
CID 53351236

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide (CID 73389427) is 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide is Cc1cc(N2CCNCC2)nc2ccc(NC(=O)CNC3CCN(Cc4ccccc4)CC3)cc12.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide?
The InChIKey is PQSWAEWZAQVQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O/c1-21-17-27(34-15-11-29-12-16-34)32-26-8-7-24(18-25(21)26)31-28(35)19-30-23-9-13-33(14-10-23)20-22-5-3-2-4-6-22/h2-8,17-18,23,29-30H,9-16,19-20H2,1H3,(H,31,35).
What are the key properties of 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide?
2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide has a molecular weight of 472.64 g/mol, XLogP of 3.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)amino]-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide is sourced from PubChem (CID 73389427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).