N-methyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide

C9H14F3N3O2 — CID 62729157

IUPACN-methyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3N3O2/c1-13-7(16)6-14-2-4-15(5-3-14)8(17)9(10,11)12/h2-6H2,1H3,(H,13,16)
InChIKeyFVMPZHORIIMXFE-UHFFFAOYSA-N
MW253.22 g/mol
LogP-0.56
Rot. Bonds2

About N-methyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide

N-methyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide (PubChem CID 62729157) has the molecular formula C9H14F3N3O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is N-methyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide
PubChem CID62729157
Molecular FormulaC9H14F3N3O2
Molecular Weight253.22 g/mol
Exact Mass253.10
IUPAC NameN-methyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3N3O2/c1-13-7(16)6-14-2-4-15(5-3-14)8(17)9(10,11)12/h2-6H2,1H3,(H,13,16)
InChIKeyFVMPZHORIIMXFE-UHFFFAOYSA-N
XLogP-0.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl 4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxylate
CID 65173779
N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 60641709
2-[4,7-bis(carboxymethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19838418
N-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 41325287
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
2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide
CID 54869276
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
N-methyl-2-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 134025795
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 89043934
ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 170709333
methyl 4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]butanoate
CID 152602216

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide (CID 62729157) is N-methyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide is CNC(=O)CN1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-methyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide?
The InChIKey is FVMPZHORIIMXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2/c1-13-7(16)6-14-2-4-15(5-3-14)8(17)9(10,11)12/h2-6H2,1H3,(H,13,16).
What are the key properties of N-methyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide?
N-methyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide has a molecular weight of 253.22 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 62729157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).