2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide

C10H18F3N3O — CID 79797253

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O/c1-9(14,10(11,12)13)8(17)15-7-3-5-16(2)6-4-7/h7H,3-6,14H2,1-2H3,(H,15,17)
InChIKeyIDEPRKDFBWNKOT-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.48
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 79797253) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID79797253
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O/c1-9(14,10(11,12)13)8(17)15-7-3-5-16(2)6-4-7/h7H,3-6,14H2,1-2H3,(H,15,17)
InChIKeyIDEPRKDFBWNKOT-UHFFFAOYSA-N
XLogP0.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 79805040
2-amino-3,3,3-trifluoro-2-methyl-N-(1-propylpiperidin-4-yl)propanamide
CID 79805453
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 79805526
2-amino-2-ethyl-N-(1-methylpiperidin-4-yl)butanamide
CID 79809510
2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-3-yl)propanamide
CID 103063066
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797691
3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 65269836
N'-(1-methylpiperidin-4-yl)oxamide;hydrochloride
CID 22934824
2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 58679843
2-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylpropanamide
CID 61264639
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
2,2,3,3-tetrafluoro-N-(1-methylpyrrolidin-3-yl)propanamide
CID 103733776

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide (CID 79797253) is 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide is CN1CCC(NC(=O)C(C)(N)C(F)(F)F)CC1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is IDEPRKDFBWNKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-9(14,10(11,12)13)8(17)15-7-3-5-16(2)6-4-7/h7H,3-6,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 253.27 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 79797253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).