N,N-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide

C11H20F3N3O2 — CID 103912756

IUPACN,N-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NCC(O)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O2/c1-16(2)10(19)17-5-3-8(4-6-17)15-7-9(18)11(12,13)14/h8-9,15,18H,3-7H2,1-2H3
InChIKeyIBHFDAFDAQMYKW-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.65
Rot. Bonds3

About N,N-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide

N,N-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide (PubChem CID 103912756) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N,N-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide
PubChem CID103912756
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC NameN,N-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(NCC(O)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O2/c1-16(2)10(19)17-5-3-8(4-6-17)15-7-9(18)11(12,13)14/h8-9,15,18H,3-7H2,1-2H3
InChIKeyIBHFDAFDAQMYKW-UHFFFAOYSA-N
XLogP0.65
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide (CID 103912756) is N,N-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide is CN(C)C(=O)N1CCC(NCC(O)C(F)(F)F)CC1.
What is the InChIKey of N,N-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide?
The InChIKey is IBHFDAFDAQMYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-16(2)10(19)17-5-3-8(4-6-17)15-7-9(18)11(12,13)14/h8-9,15,18H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide?
N,N-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 103912756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).