(2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide

C12H23FN2O2 — CID 170128718

IUPAC(2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)N1CCCC[C@H]1C(=O)NCC(F)CO
InChIInChI=1S/C12H23FN2O2/c1-9(2)15-6-4-3-5-11(15)12(17)14-7-10(13)8-16/h9-11,16H,3-8H2,1-2H3,(H,14,17)/t10?,11-/m0/s1
InChIKeyAVWZPEVIVLVFRD-DTIOYNMSSA-N
MW246.33 g/mol
LogP0.70
Rot. Bonds5

About (2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide

(2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide (PubChem CID 170128718) has the molecular formula C12H23FN2O2 and a molecular weight of 246.33 g/mol. Its IUPAC name is (2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide
PubChem CID170128718
Molecular FormulaC12H23FN2O2
Molecular Weight246.33 g/mol
Exact Mass246.17
IUPAC Name(2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide
SMILESCC(C)N1CCCC[C@H]1C(=O)NCC(F)CO
InChIInChI=1S/C12H23FN2O2/c1-9(2)15-6-4-3-5-11(15)12(17)14-7-10(13)8-16/h9-11,16H,3-8H2,1-2H3,(H,14,17)/t10?,11-/m0/s1
InChIKeyAVWZPEVIVLVFRD-DTIOYNMSSA-N
XLogP0.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide (CID 170128718) is (2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide is CC(C)N1CCCC[C@H]1C(=O)NCC(F)CO.
What is the InChIKey of (2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide?
The InChIKey is AVWZPEVIVLVFRD-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H23FN2O2/c1-9(2)15-6-4-3-5-11(15)12(17)14-7-10(13)8-16/h9-11,16H,3-8H2,1-2H3,(H,14,17)/t10?,11-/m0/s1.
What are the key properties of (2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide?
(2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 246.33 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-fluoro-3-hydroxypropyl)-1-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 170128718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).