N-[(1R)-3,3-difluorocyclohexyl]-2-hydroxy-N-piperidin-4-ylacetamide

C13H22F2N2O2 — CID 70952478

IUPACN-[(1R)-3,3-difluorocyclohexyl]-2-hydroxy-N-piperidin-4-ylacetamide
SMILESO=C(CO)N(C1CCNCC1)[C@@H]1CCCC(F)(F)C1
InChIInChI=1S/C13H22F2N2O2/c14-13(15)5-1-2-11(8-13)17(12(19)9-18)10-3-6-16-7-4-10/h10-11,16,18H,1-9H2/t11-/m1/s1
InChIKeyHXHJZDJQAJPSGE-LLVKDONJSA-N
MW276.33 g/mol
LogP1.14
Rot. Bonds3

About N-[(1R)-3,3-difluorocyclohexyl]-2-hydroxy-N-piperidin-4-ylacetamide

N-[(1R)-3,3-difluorocyclohexyl]-2-hydroxy-N-piperidin-4-ylacetamide (PubChem CID 70952478) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is N-[(1R)-3,3-difluorocyclohexyl]-2-hydroxy-N-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[(1R)-3,3-difluorocyclohexyl]-2-hydroxy-N-piperidin-4-ylacetamide
PubChem CID70952478
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC NameN-[(1R)-3,3-difluorocyclohexyl]-2-hydroxy-N-piperidin-4-ylacetamide
SMILESO=C(CO)N(C1CCNCC1)[C@@H]1CCCC(F)(F)C1
InChIInChI=1S/C13H22F2N2O2/c14-13(15)5-1-2-11(8-13)17(12(19)9-18)10-3-6-16-7-4-10/h10-11,16,18H,1-9H2/t11-/m1/s1
InChIKeyHXHJZDJQAJPSGE-LLVKDONJSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3,3-difluorocyclohexyl]-2-hydroxy-N-piperidin-4-ylacetamide?
The IUPAC name of N-[(1R)-3,3-difluorocyclohexyl]-2-hydroxy-N-piperidin-4-ylacetamide (CID 70952478) is N-[(1R)-3,3-difluorocyclohexyl]-2-hydroxy-N-piperidin-4-ylacetamide.
What is the SMILES notation for N-[(1R)-3,3-difluorocyclohexyl]-2-hydroxy-N-piperidin-4-ylacetamide?
The canonical SMILES for N-[(1R)-3,3-difluorocyclohexyl]-2-hydroxy-N-piperidin-4-ylacetamide is O=C(CO)N(C1CCNCC1)[C@@H]1CCCC(F)(F)C1.
What is the InChIKey of N-[(1R)-3,3-difluorocyclohexyl]-2-hydroxy-N-piperidin-4-ylacetamide?
The InChIKey is HXHJZDJQAJPSGE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c14-13(15)5-1-2-11(8-13)17(12(19)9-18)10-3-6-16-7-4-10/h10-11,16,18H,1-9H2/t11-/m1/s1.
What are the key properties of N-[(1R)-3,3-difluorocyclohexyl]-2-hydroxy-N-piperidin-4-ylacetamide?
N-[(1R)-3,3-difluorocyclohexyl]-2-hydroxy-N-piperidin-4-ylacetamide has a molecular weight of 276.33 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3,3-difluorocyclohexyl]-2-hydroxy-N-piperidin-4-ylacetamide is sourced from PubChem (CID 70952478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).