2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide

C23H25FN4O2 — CID 11682940

IUPAC2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide
SMILESO=C(CN1CCC(Nc2ccc(F)cc2CO)CC1)Nc1cnc2ccccc2c1
InChIInChI=1S/C23H25FN4O2/c24-18-5-6-22(17(11-18)15-29)26-19-7-9-28(10-8-19)14-23(30)27-20-12-16-3-1-2-4-21(16)25-13-20/h1-6,11-13,19,26,29H,7-10,14-15H2,(H,27,30)
InChIKeyFWRCYGIZSRKKON-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.38
Rot. Bonds6

About 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide

2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide (PubChem CID 11682940) 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-3-ylacetamide.

Molecular Properties

Compound Name2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide
PubChem CID11682940
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide
SMILESO=C(CN1CCC(Nc2ccc(F)cc2CO)CC1)Nc1cnc2ccccc2c1
InChIInChI=1S/C23H25FN4O2/c24-18-5-6-22(17(11-18)15-29)26-19-7-9-28(10-8-19)14-23(30)27-20-12-16-3-1-2-4-21(16)25-13-20/h1-6,11-13,19,26,29H,7-10,14-15H2,(H,27,30)
InChIKeyFWRCYGIZSRKKON-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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide?
The IUPAC name of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide (CID 11682940) is 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide.
What is the SMILES notation for 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide?
The canonical SMILES for 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide is O=C(CN1CCC(Nc2ccc(F)cc2CO)CC1)Nc1cnc2ccccc2c1.
What is the InChIKey of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide?
The InChIKey is FWRCYGIZSRKKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-18-5-6-22(17(11-18)15-29)26-19-7-9-28(10-8-19)14-23(30)27-20-12-16-3-1-2-4-21(16)25-13-20/h1-6,11-13,19,26,29H,7-10,14-15H2,(H,27,30).
What are the key properties of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-ylacetamide?
2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-3-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-3-ylacetamide is sourced from PubChem (CID 11682940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).