2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-8-ylacetamide

C23H25FN4O2 — CID 11603905

IUPAC2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-8-ylacetamide
SMILESO=C(CN1CCC(Nc2ccc(F)cc2CO)CC1)Nc1cccc2cccnc12
InChIInChI=1S/C23H25FN4O2/c24-18-6-7-20(17(13-18)15-29)26-19-8-11-28(12-9-19)14-22(30)27-21-5-1-3-16-4-2-10-25-23(16)21/h1-7,10,13,19,26,29H,8-9,11-12,14-15H2,(H,27,30)
InChIKeyXOBMUDINOTYUEH-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.38
Rot. Bonds6

About 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-8-ylacetamide

2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-8-ylacetamide (PubChem CID 11603905) 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-8-ylacetamide.

Molecular Properties

Compound Name2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-8-ylacetamide
PubChem CID11603905
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-8-ylacetamide
SMILESO=C(CN1CCC(Nc2ccc(F)cc2CO)CC1)Nc1cccc2cccnc12
InChIInChI=1S/C23H25FN4O2/c24-18-6-7-20(17(13-18)15-29)26-19-8-11-28(12-9-19)14-22(30)27-21-5-1-3-16-4-2-10-25-23(16)21/h1-7,10,13,19,26,29H,8-9,11-12,14-15H2,(H,27,30)
InChIKeyXOBMUDINOTYUEH-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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Related Compounds

CID 10025916
CID 10025916
CID 10317643
CID 10317643
CID 10475736
CID 10475736
CID 16090602
CID 16090602
CID 10895455
CID 10895455
CID 10906000
CID 10906000
CID 11729880
CID 11729880
CID 16090632
CID 16090632
CID 16090633
CID 16090633
CID 45271957
CID 45271957
CID 11144690
CID 11144690
CID 16190772
CID 16190772

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-8-ylacetamide?
The IUPAC name of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-8-ylacetamide (CID 11603905) is 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-8-ylacetamide is O=C(CN1CCC(Nc2ccc(F)cc2CO)CC1)Nc1cccc2cccnc12.
What is the InChIKey of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-8-ylacetamide?
The InChIKey is XOBMUDINOTYUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-18-6-7-20(17(13-18)15-29)26-19-8-11-28(12-9-19)14-22(30)27-21-5-1-3-16-4-2-10-25-23(16)21/h1-7,10,13,19,26,29H,8-9,11-12,14-15H2,(H,27,30).
What are the key properties of 2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-8-ylacetamide?
2-[4-[4-fluoro-2-(hydroxymethyl)anilino]piperidin-1-yl]-N-quinolin-8-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-8-ylacetamide is sourced from PubChem (CID 11603905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).