3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxamide

C10H19F2N3O2 — CID 83992966

IUPAC3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CC(NCC(F)F)CN(C(N)=O)C1
InChIInChI=1S/C10H19F2N3O2/c1-6(16)7-2-8(14-3-9(11)12)5-15(4-7)10(13)17/h6-9,14,16H,2-5H2,1H3,(H2,13,17)
InChIKeyBTPYYKJNLFGIIM-UHFFFAOYSA-N
MW251.28 g/mol
LogP-0.01
Rot. Bonds4

About 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxamide

3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 83992966) has the molecular formula C10H19F2N3O2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID83992966
Molecular FormulaC10H19F2N3O2
Molecular Weight251.28 g/mol
Exact Mass251.14
IUPAC Name3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CC(NCC(F)F)CN(C(N)=O)C1
InChIInChI=1S/C10H19F2N3O2/c1-6(16)7-2-8(14-3-9(11)12)5-15(4-7)10(13)17/h6-9,14,16H,2-5H2,1H3,(H2,13,17)
InChIKeyBTPYYKJNLFGIIM-UHFFFAOYSA-N
XLogP-0.01
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxamide (CID 83992966) is 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxamide is CC(O)C1CC(NCC(F)F)CN(C(N)=O)C1.
What is the InChIKey of 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is BTPYYKJNLFGIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N3O2/c1-6(16)7-2-8(14-3-9(11)12)5-15(4-7)10(13)17/h6-9,14,16H,2-5H2,1H3,(H2,13,17).
What are the key properties of 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxamide?
3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 251.28 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 83992966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).