N-(4-fluorophenyl)-2-[2-(6-methoxyquinolin-4-yl)ethyl-piperidin-4-ylamino]acetamide

C25H29FN4O2 — CID 23152191

IUPACN-(4-fluorophenyl)-2-[2-(6-methoxyquinolin-4-yl)ethyl-piperidin-4-ylamino]acetamide
SMILESCOc1ccc2nccc(CCN(CC(=O)Nc3ccc(F)cc3)C3CCNCC3)c2c1
InChIInChI=1S/C25H29FN4O2/c1-32-22-6-7-24-23(16-22)18(8-14-28-24)11-15-30(21-9-12-27-13-10-21)17-25(31)29-20-4-2-19(26)3-5-20/h2-8,14,16,21,27H,9-13,15,17H2,1H3,(H,29,31)
InChIKeyNSVHZNDSNMHCFD-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.62
Rot. Bonds8

About N-(4-fluorophenyl)-2-[2-(6-methoxyquinolin-4-yl)ethyl-piperidin-4-ylamino]acetamide

N-(4-fluorophenyl)-2-[2-(6-methoxyquinolin-4-yl)ethyl-piperidin-4-ylamino]acetamide (PubChem CID 23152191) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-(6-methoxyquinolin-4-yl)ethyl-piperidin-4-ylamino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-(6-methoxyquinolin-4-yl)ethyl-piperidin-4-ylamino]acetamide
PubChem CID23152191
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC NameN-(4-fluorophenyl)-2-[2-(6-methoxyquinolin-4-yl)ethyl-piperidin-4-ylamino]acetamide
SMILESCOc1ccc2nccc(CCN(CC(=O)Nc3ccc(F)cc3)C3CCNCC3)c2c1
InChIInChI=1S/C25H29FN4O2/c1-32-22-6-7-24-23(16-22)18(8-14-28-24)11-15-30(21-9-12-27-13-10-21)17-25(31)29-20-4-2-19(26)3-5-20/h2-8,14,16,21,27H,9-13,15,17H2,1H3,(H,29,31)
InChIKeyNSVHZNDSNMHCFD-UHFFFAOYSA-N
XLogP3.62
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-(6-methoxyquinolin-4-yl)ethyl-piperidin-4-ylamino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-(6-methoxyquinolin-4-yl)ethyl-piperidin-4-ylamino]acetamide (CID 23152191) is N-(4-fluorophenyl)-2-[2-(6-methoxyquinolin-4-yl)ethyl-piperidin-4-ylamino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-(6-methoxyquinolin-4-yl)ethyl-piperidin-4-ylamino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-(6-methoxyquinolin-4-yl)ethyl-piperidin-4-ylamino]acetamide is COc1ccc2nccc(CCN(CC(=O)Nc3ccc(F)cc3)C3CCNCC3)c2c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-(6-methoxyquinolin-4-yl)ethyl-piperidin-4-ylamino]acetamide?
The InChIKey is NSVHZNDSNMHCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-32-22-6-7-24-23(16-22)18(8-14-28-24)11-15-30(21-9-12-27-13-10-21)17-25(31)29-20-4-2-19(26)3-5-20/h2-8,14,16,21,27H,9-13,15,17H2,1H3,(H,29,31).
What are the key properties of N-(4-fluorophenyl)-2-[2-(6-methoxyquinolin-4-yl)ethyl-piperidin-4-ylamino]acetamide?
N-(4-fluorophenyl)-2-[2-(6-methoxyquinolin-4-yl)ethyl-piperidin-4-ylamino]acetamide has a molecular weight of 436.53 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-(6-methoxyquinolin-4-yl)ethyl-piperidin-4-ylamino]acetamide is sourced from PubChem (CID 23152191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).