2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide

C11H21F3N4O — CID 79811012

IUPAC2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCN1CCN(C)C(CNC(=O)C(C)(N)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N4O/c1-10(15,11(12,13)14)9(19)16-6-8-7-17(2)4-5-18(8)3/h8H,4-7,15H2,1-3H3,(H,16,19)
InChIKeyXSHCQZJEYDAZHK-UHFFFAOYSA-N
MW282.31 g/mol
LogP-0.37
Rot. Bonds3

About 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79811012) has the molecular formula C11H21F3N4O and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79811012
Molecular FormulaC11H21F3N4O
Molecular Weight282.31 g/mol
Exact Mass282.17
IUPAC Name2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCN1CCN(C)C(CNC(=O)C(C)(N)C(F)(F)F)C1
InChIInChI=1S/C11H21F3N4O/c1-10(15,11(12,13)14)9(19)16-6-8-7-17(2)4-5-18(8)3/h8H,4-7,15H2,1-3H3,(H,16,19)
InChIKeyXSHCQZJEYDAZHK-UHFFFAOYSA-N
XLogP-0.37
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide
CID 63896376
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-2,3-dimethylbutanamide
CID 154789742
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(ethylamino)-2-methylpropanamide
CID 63898421
2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide
CID 113270370
ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoylamino]acetate
CID 63896961
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797572
5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide
CID 82688861
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide
CID 63898587
2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 63897494
2-amino-3,3,3-trifluoro-N-[(4-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 106135692
3-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]prop-2-ynamide
CID 131133952

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide (CID 79811012) is 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide is CN1CCN(C)C(CNC(=O)C(C)(N)C(F)(F)F)C1.
What is the InChIKey of 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is XSHCQZJEYDAZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O/c1-10(15,11(12,13)14)9(19)16-6-8-7-17(2)4-5-18(8)3/h8H,4-7,15H2,1-3H3,(H,16,19).
What are the key properties of 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 282.31 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79811012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).