2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate

C10H16F3N3O3 — CID 65173779

IUPAC2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate
SMILESCNC(=O)CN1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3O3/c1-14-8(17)6-15-2-4-16(5-3-15)9(18)19-7-10(11,12)13/h2-7H2,1H3,(H,14,17)
InChIKeyXMKXMZZOEUTZFW-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.05
Rot. Bonds3

About 2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate

2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 65173779) has the molecular formula C10H16F3N3O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate
PubChem CID65173779
Molecular FormulaC10H16F3N3O3
Molecular Weight283.25 g/mol
Exact Mass283.11
IUPAC Name2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate
SMILESCNC(=O)CN1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N3O3/c1-14-8(17)6-15-2-4-16(5-3-15)9(18)19-7-10(11,12)13/h2-7H2,1H3,(H,14,17)
InChIKeyXMKXMZZOEUTZFW-UHFFFAOYSA-N
XLogP0.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide
CID 62729157
2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 63373740
2,2,2-trifluoroethyl 4-acetyl-1,4-diazepane-1-carboxylate
CID 65173403
3-fluoropropyl 4-[2-(methylamino)-2-oxoethyl]-1,4-diazepane-1-carboxylate
CID 138045234
2,2,2-trifluoroethyl azepane-1-carboxylate
CID 65168312
2,2,2-trifluoroethyl 4-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 32695486
2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide
CID 76895214
methyl 2-[4,7-bis(2-methoxy-2-oxoethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 143494239
N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 60641709
ethyl 4-(2-hydrazinyl-2-oxoethyl)piperazine-1-carboxylate
CID 107877747
2-[4,7-bis(carboxymethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19838418
ethyl 4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxylate
CID 8932175

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate (CID 65173779) is 2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate is CNC(=O)CN1CCN(C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is XMKXMZZOEUTZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3/c1-14-8(17)6-15-2-4-16(5-3-15)9(18)19-7-10(11,12)13/h2-7H2,1H3,(H,14,17).
What are the key properties of 2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate?
2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 283.25 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 65173779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).