1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone

C9H13F3N2O2 — CID 115006809

IUPAC1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESNCC(=O)C1CCCCN1C(=O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)8(16)14-4-2-1-3-6(14)7(15)5-13/h6H,1-5,13H2
InChIKeyKPQQLFDLJIMLAE-UHFFFAOYSA-N
MW238.21 g/mol
LogP0.46
Rot. Bonds2

About 1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 115006809) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID115006809
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESNCC(=O)C1CCCCN1C(=O)C(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)8(16)14-4-2-1-3-6(14)7(15)5-13/h6H,1-5,13H2
InChIKeyKPQQLFDLJIMLAE-UHFFFAOYSA-N
XLogP0.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 62735060
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 142656009
ethyl 2-(2-aminoacetyl)azepane-1-carboxylate
CID 115006837
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87975279
butan-2-yl 1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylate
CID 601862
N-cyclopentyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343831
2,2,3,3,3-pentafluoropropyl 1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylate
CID 91724240
2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
CID 22953695
N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 86587583
1-(2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepin-4-yl)-2,2,2-trifluoroethanone
CID 178143561
2,2,2-trifluoro-1-[2-(2-sulfanylidene-1,3-oxazolidine-3-carbonyl)piperidin-1-yl]ethanone
CID 86242153
(2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid
CID 45080923

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 115006809) is 1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone is NCC(=O)C1CCCCN1C(=O)C(F)(F)F.
What is the InChIKey of 1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is KPQQLFDLJIMLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c10-9(11,12)8(16)14-4-2-1-3-6(14)7(15)5-13/h6H,1-5,13H2.
What are the key properties of 1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 238.21 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoacetyl)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 115006809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).