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

C23H25FN4O2 — CID 11697173

IUPAC2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-6-ylacetamide
SMILESO=C(CN1CCC(Nc2ccc(F)cc2CO)CC1)Nc1ccc2ncccc2c1
InChIInChI=1S/C23H25FN4O2/c24-18-3-5-22(17(12-18)15-29)26-19-7-10-28(11-8-19)14-23(30)27-20-4-6-21-16(13-20)2-1-9-25-21/h1-6,9,12-13,19,26,29H,7-8,10-11,14-15H2,(H,27,30)
InChIKeyXBMGPGZRGCRUPO-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.38
Rot. Bonds6

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

2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-6-ylacetamide (PubChem CID 11697173) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-6-ylacetamide.

Molecular Properties

Compound Name2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-6-ylacetamide
PubChem CID11697173
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-6-ylacetamide
SMILESO=C(CN1CCC(Nc2ccc(F)cc2CO)CC1)Nc1ccc2ncccc2c1
InChIInChI=1S/C23H25FN4O2/c24-18-3-5-22(17(12-18)15-29)26-19-7-10-28(11-8-19)14-23(30)27-20-4-6-21-16(13-20)2-1-9-25-21/h1-6,9,12-13,19,26,29H,7-8,10-11,14-15H2,(H,27,30)
InChIKeyXBMGPGZRGCRUPO-UHFFFAOYSA-N
XLogP3.38
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-6-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-6-ylacetamide?
The IUPAC name of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-6-ylacetamide (CID 11697173) is 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-6-ylacetamide.
What is the SMILES notation for 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-6-ylacetamide?
The canonical SMILES for 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-6-ylacetamide is O=C(CN1CCC(Nc2ccc(F)cc2CO)CC1)Nc1ccc2ncccc2c1.
What is the InChIKey of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-6-ylacetamide?
The InChIKey is XBMGPGZRGCRUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-18-3-5-22(17(12-18)15-29)26-19-7-10-28(11-8-19)14-23(30)27-20-4-6-21-16(13-20)2-1-9-25-21/h1-6,9,12-13,19,26,29H,7-8,10-11,14-15H2,(H,27,30).
What are the key properties of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-6-ylacetamide?
2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-6-ylacetamide has a molecular weight of 408.48 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-6-ylacetamide is sourced from PubChem (CID 11697173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).