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

C10H19F2N3O2 — CID 83992959

IUPAC3-(2,2-difluoroethylamino)-5-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESNC(=O)N1CC(CCO)CC(NCC(F)F)C1
InChIInChI=1S/C10H19F2N3O2/c11-9(12)4-14-8-3-7(1-2-16)5-15(6-8)10(13)17/h7-9,14,16H,1-6H2,(H2,13,17)
InChIKeyXXWZCOSTSJOHLN-UHFFFAOYSA-N
MW251.28 g/mol
LogP-0.01
Rot. Bonds5

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

3-(2,2-difluoroethylamino)-5-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 83992959) has the molecular formula C10H19F2N3O2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-(2,2-difluoroethylamino)-5-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,2-difluoroethylamino)-5-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID83992959
Molecular FormulaC10H19F2N3O2
Molecular Weight251.28 g/mol
Exact Mass251.14
IUPAC Name3-(2,2-difluoroethylamino)-5-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESNC(=O)N1CC(CCO)CC(NCC(F)F)C1
InChIInChI=1S/C10H19F2N3O2/c11-9(12)4-14-8-3-7(1-2-16)5-15(6-8)10(13)17/h7-9,14,16H,1-6H2,(H2,13,17)
InChIKeyXXWZCOSTSJOHLN-UHFFFAOYSA-N
XLogP-0.01
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of 3-(2,2-difluoroethylamino)-5-(2-hydroxyethyl)piperidine-1-carboxamide (CID 83992959) is 3-(2,2-difluoroethylamino)-5-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2,2-difluoroethylamino)-5-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(2,2-difluoroethylamino)-5-(2-hydroxyethyl)piperidine-1-carboxamide is NC(=O)N1CC(CCO)CC(NCC(F)F)C1.
What is the InChIKey of 3-(2,2-difluoroethylamino)-5-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is XXWZCOSTSJOHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N3O2/c11-9(12)4-14-8-3-7(1-2-16)5-15(6-8)10(13)17/h7-9,14,16H,1-6H2,(H2,13,17).
What are the key properties of 3-(2,2-difluoroethylamino)-5-(2-hydroxyethyl)piperidine-1-carboxamide?
3-(2,2-difluoroethylamino)-5-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 251.28 g/mol, XLogP of -0.01, 5 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-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 83992959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).