N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C15H24F3N3O3 — CID 87025475

IUPACN-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)N(CC(=O)N(C)C)CC(F)(F)F)C1
InChIInChI=1S/C15H24F3N3O3/c1-4-12(22)20-7-5-6-11(8-20)14(24)21(10-15(16,17)18)9-13(23)19(2)3/h11H,4-10H2,1-3H3
InChIKeyGPZXMZPMCFQYCR-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.11
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 87025475) has the molecular formula C15H24F3N3O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID87025475
Molecular FormulaC15H24F3N3O3
Molecular Weight351.37 g/mol
Exact Mass351.18
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)N(CC(=O)N(C)C)CC(F)(F)F)C1
InChIInChI=1S/C15H24F3N3O3/c1-4-12(22)20-7-5-6-11(8-20)14(24)21(10-15(16,17)18)9-13(23)19(2)3/h11H,4-10H2,1-3H3
InChIKeyGPZXMZPMCFQYCR-UHFFFAOYSA-N
XLogP1.11
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 87025475) is N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)N(CC(=O)N(C)C)CC(F)(F)F)C1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is GPZXMZPMCFQYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3O3/c1-4-12(22)20-7-5-6-11(8-20)14(24)21(10-15(16,17)18)9-13(23)19(2)3/h11H,4-10H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-1-propanoyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 87025475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).