N-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-piperidin-2-ylacetamide

C34H40BrN3O2 — CID 141302849

IUPACN-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-piperidin-2-ylacetamide
SMILESCOc1nc2ccc(Br)cc2cc1C(c1ccccc1)N(C(=O)CC1CCCCN1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C34H40BrN3O2/c1-40-33-29(17-26-16-27(35)10-11-30(26)37-33)32(25-7-3-2-4-8-25)38(31(39)18-28-9-5-6-12-36-28)34-19-22-13-23(20-34)15-24(14-22)21-34/h2-4,7-8,10-11,16-17,22-24,28,32,36H,5-6,9,12-15,18-21H2,1H3
InChIKeyPDOOANVNAZUSNX-UHFFFAOYSA-N
MW602.62 g/mol
LogP7.42
Rot. Bonds7

About N-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-piperidin-2-ylacetamide

N-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-piperidin-2-ylacetamide (PubChem CID 141302849) has the molecular formula C34H40BrN3O2 and a molecular weight of 602.62 g/mol. Its IUPAC name is N-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-piperidin-2-ylacetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-piperidin-2-ylacetamide
PubChem CID141302849
Molecular FormulaC34H40BrN3O2
Molecular Weight602.62 g/mol
Exact Mass601.23
IUPAC NameN-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-piperidin-2-ylacetamide
SMILESCOc1nc2ccc(Br)cc2cc1C(c1ccccc1)N(C(=O)CC1CCCCN1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C34H40BrN3O2/c1-40-33-29(17-26-16-27(35)10-11-30(26)37-33)32(25-7-3-2-4-8-25)38(31(39)18-28-9-5-6-12-36-28)34-19-22-13-23(20-34)15-24(14-22)21-34/h2-4,7-8,10-11,16-17,22-24,28,32,36H,5-6,9,12-15,18-21H2,1H3
InChIKeyPDOOANVNAZUSNX-UHFFFAOYSA-N
XLogP7.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.62
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-piperidin-2-ylacetamide 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

N-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 141302852
N-(4-acetylphenyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-(diethylamino)propanamide
CID 72548025
1-(6-bromo-2-methoxyquinolin-3-yl)-6-chloro-1-phenylhexan-2-one
CID 59239951
(3R,4R)-4-[(S)-(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-3-[(dimethylamino)methyl]-2,3-dihydrochromen-4-ol
CID 139186270
N-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide
CID 115160465
N-butyl-N-phenyl-2-piperidin-2-ylacetamide
CID 64584615
1-(6-bromo-2-methoxyquinolin-3-yl)-3-methylsulfanyl-1,2-diphenylpropan-2-ol
CID 143687575
1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine
CID 116935969
2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone
CID 79536019
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-2-ylacetamide
CID 115160506
N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 115160149
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119704713

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-piperidin-2-ylacetamide?
The IUPAC name of N-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-piperidin-2-ylacetamide (CID 141302849) is N-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-piperidin-2-ylacetamide.
What is the SMILES notation for N-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-piperidin-2-ylacetamide?
The canonical SMILES for N-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-piperidin-2-ylacetamide is COc1nc2ccc(Br)cc2cc1C(c1ccccc1)N(C(=O)CC1CCCCN1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-piperidin-2-ylacetamide?
The InChIKey is PDOOANVNAZUSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40BrN3O2/c1-40-33-29(17-26-16-27(35)10-11-30(26)37-33)32(25-7-3-2-4-8-25)38(31(39)18-28-9-5-6-12-36-28)34-19-22-13-23(20-34)15-24(14-22)21-34/h2-4,7-8,10-11,16-17,22-24,28,32,36H,5-6,9,12-15,18-21H2,1H3.
What are the key properties of N-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-piperidin-2-ylacetamide?
N-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-piperidin-2-ylacetamide has a molecular weight of 602.62 g/mol, XLogP of 7.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-2-piperidin-2-ylacetamide is sourced from PubChem (CID 141302849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).