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

C11H21F2N3O2 — CID 83992967

IUPAC3-(2,2-difluoroethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide
SMILESCCC(O)C1CC(NCC(F)F)CN(C(N)=O)C1
InChIInChI=1S/C11H21F2N3O2/c1-2-9(17)7-3-8(15-4-10(12)13)6-16(5-7)11(14)18/h7-10,15,17H,2-6H2,1H3,(H2,14,18)
InChIKeySRFOPXFNPSNGEJ-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.38
Rot. Bonds5

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

3-(2,2-difluoroethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide (PubChem CID 83992967) has the molecular formula C11H21F2N3O2 and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-(2,2-difluoroethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,2-difluoroethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide
PubChem CID83992967
Molecular FormulaC11H21F2N3O2
Molecular Weight265.30 g/mol
Exact Mass265.16
IUPAC Name3-(2,2-difluoroethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide
SMILESCCC(O)C1CC(NCC(F)F)CN(C(N)=O)C1
InChIInChI=1S/C11H21F2N3O2/c1-2-9(17)7-3-8(15-4-10(12)13)6-16(5-7)11(14)18/h7-10,15,17H,2-6H2,1H3,(H2,14,18)
InChIKeySRFOPXFNPSNGEJ-UHFFFAOYSA-N
XLogP0.38
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.38
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-hydroxypropyl)piperidine-1-carboxamide?
The IUPAC name of 3-(2,2-difluoroethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide (CID 83992967) is 3-(2,2-difluoroethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2,2-difluoroethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(2,2-difluoroethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide is CCC(O)C1CC(NCC(F)F)CN(C(N)=O)C1.
What is the InChIKey of 3-(2,2-difluoroethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide?
The InChIKey is SRFOPXFNPSNGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N3O2/c1-2-9(17)7-3-8(15-4-10(12)13)6-16(5-7)11(14)18/h7-10,15,17H,2-6H2,1H3,(H2,14,18).
What are the key properties of 3-(2,2-difluoroethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide?
3-(2,2-difluoroethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide has a molecular weight of 265.30 g/mol, XLogP of 0.38, 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-(1-hydroxypropyl)piperidine-1-carboxamide is sourced from PubChem (CID 83992967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).