2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide

C24H28N4O2 — CID 11668562

IUPAC2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide
SMILESCc1ccc(NC2CCN(CC(=O)Nc3ccc4ncccc4c3)CC2)c(CO)c1
InChIInChI=1S/C24H28N4O2/c1-17-4-6-23(19(13-17)16-29)26-20-8-11-28(12-9-20)15-24(30)27-21-5-7-22-18(14-21)3-2-10-25-22/h2-7,10,13-14,20,26,29H,8-9,11-12,15-16H2,1H3,(H,27,30)
InChIKeyWZTDRMMGQUNBHH-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.55
Rot. Bonds6

About 2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide

2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide (PubChem CID 11668562) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide
PubChem CID11668562
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide
SMILESCc1ccc(NC2CCN(CC(=O)Nc3ccc4ncccc4c3)CC2)c(CO)c1
InChIInChI=1S/C24H28N4O2/c1-17-4-6-23(19(13-17)16-29)26-20-8-11-28(12-9-20)15-24(30)27-21-5-7-22-18(14-21)3-2-10-25-22/h2-7,10,13-14,20,26,29H,8-9,11-12,15-16H2,1H3,(H,27,30)
InChIKeyWZTDRMMGQUNBHH-UHFFFAOYSA-N
XLogP3.55
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide
CID 11682940
2-[4-(3-hydroxyanilino)piperidin-1-yl]-N-quinolin-6-ylacetamide
CID 24985739
2-[4-(2-fluorophenoxy)piperidin-1-yl]-N-quinolin-6-ylacetamide
CID 46980899
2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-(9-methylcarbazol-3-yl)acetamide
CID 11554039
2-(cyclopropylmethylamino)-N-quinolin-6-ylacetamide
CID 62634785
2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide
CID 11634049
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
2-[4-[2-(hydroxymethyl)anilino]piperidin-1-yl]-N-[4-[hydroxy(phenyl)methyl]phenyl]acetamide
CID 11525126
2-[4-[(4-methylquinolin-2-yl)amino]piperidin-1-yl]-N-phenylacetamide
CID 134006987
N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3727872
2-chloro-N-quinolin-6-ylacetamide
CID 3144388
N-(3-methylphenyl)-3-[1-(quinoline-6-carbonyl)piperidin-4-yl]propanamide
CID 25288635

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide?
The IUPAC name of 2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide (CID 11668562) is 2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide.
What is the SMILES notation for 2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide?
The canonical SMILES for 2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide is Cc1ccc(NC2CCN(CC(=O)Nc3ccc4ncccc4c3)CC2)c(CO)c1.
What is the InChIKey of 2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide?
The InChIKey is WZTDRMMGQUNBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-4-6-23(19(13-17)16-29)26-20-8-11-28(12-9-20)15-24(30)27-21-5-7-22-18(14-21)3-2-10-25-22/h2-7,10,13-14,20,26,29H,8-9,11-12,15-16H2,1H3,(H,27,30).
What are the key properties of 2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide?
2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide has a molecular weight of 404.51 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(hydroxymethyl)-4-methylanilino]piperidin-1-yl]-N-quinolin-6-ylacetamide is sourced from PubChem (CID 11668562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).