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

C11H20F3N3O2 — CID 83992273

IUPAC3-(1-hydroxypropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
SMILESCCC(O)C1CC(NCC(F)(F)F)CN(C(N)=O)C1
InChIInChI=1S/C11H20F3N3O2/c1-2-9(18)7-3-8(16-6-11(12,13)14)5-17(4-7)10(15)19/h7-9,16,18H,2-6H2,1H3,(H2,15,19)
InChIKeyKGQMTMXUFVTIPE-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.68
Rot. Bonds4

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

3-(1-hydroxypropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide (PubChem CID 83992273) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-(1-hydroxypropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1-hydroxypropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
PubChem CID83992273
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name3-(1-hydroxypropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
SMILESCCC(O)C1CC(NCC(F)(F)F)CN(C(N)=O)C1
InChIInChI=1S/C11H20F3N3O2/c1-2-9(18)7-3-8(16-6-11(12,13)14)5-17(4-7)10(15)19/h7-9,16,18H,2-6H2,1H3,(H2,15,19)
InChIKeyKGQMTMXUFVTIPE-UHFFFAOYSA-N
XLogP0.68
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
CID 75506486
N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 71968507
N-[2-(dimethylamino)-2-methylpropyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 75383468
1-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992075
1-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992076
1-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992114
1-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992115
1-[1-Propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992143
1-[1-Propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992144
1-[1-(2-Methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992165
1-[1-(2-Methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992166
1-[1-Butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992180

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The IUPAC name of 3-(1-hydroxypropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide (CID 83992273) is 3-(1-hydroxypropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide.
What is the SMILES notation for 3-(1-hydroxypropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The canonical SMILES for 3-(1-hydroxypropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide is CCC(O)C1CC(NCC(F)(F)F)CN(C(N)=O)C1.
What is the InChIKey of 3-(1-hydroxypropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The InChIKey is KGQMTMXUFVTIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-2-9(18)7-3-8(16-6-11(12,13)14)5-17(4-7)10(15)19/h7-9,16,18H,2-6H2,1H3,(H2,15,19).
What are the key properties of 3-(1-hydroxypropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
3-(1-hydroxypropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide is sourced from PubChem (CID 83992273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).