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

C12H22F3N3O — CID 79805453

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(NC(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O/c1-3-6-18-7-4-9(5-8-18)17-10(19)11(2,16)12(13,14)15/h9H,3-8,16H2,1-2H3,(H,17,19)
InChIKeyLNLOALUKNGPQDQ-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.26
Rot. Bonds4

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

2-amino-3,3,3-trifluoro-2-methyl-N-(1-propylpiperidin-4-yl)propanamide (PubChem CID 79805453) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(1-propylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(1-propylpiperidin-4-yl)propanamide
PubChem CID79805453
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(NC(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O/c1-3-6-18-7-4-9(5-8-18)17-10(19)11(2,16)12(13,14)15/h9H,3-8,16H2,1-2H3,(H,17,19)
InChIKeyLNLOALUKNGPQDQ-UHFFFAOYSA-N
XLogP1.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 79797253
2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 79805040
3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834906
2-amino-N-(1-ethylpiperidin-4-yl)-2-methylpropanamide
CID 61266826
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 79805526
N-(1-butylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide
CID 103733678
(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834930
(2R)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834920
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797691
N-(1-propylpiperidin-4-yl)prop-2-enamide
CID 61251540
2-amino-3,3,3-trifluoro-2-methyl-N-(thiolan-3-yl)propanamide
CID 103063066
2-(4-aminopiperidin-1-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 79328634

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1-propylpiperidin-4-yl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(1-propylpiperidin-4-yl)propanamide (CID 79805453) is 2-amino-3,3,3-trifluoro-2-methyl-N-(1-propylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(1-propylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(1-propylpiperidin-4-yl)propanamide is CCCN1CCC(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-propylpiperidin-4-yl)propanamide?
The InChIKey is LNLOALUKNGPQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-3-6-18-7-4-9(5-8-18)17-10(19)11(2,16)12(13,14)15/h9H,3-8,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(1-propylpiperidin-4-yl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(1-propylpiperidin-4-yl)propanamide has a molecular weight of 281.32 g/mol, XLogP of 1.26, 4 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-propylpiperidin-4-yl)propanamide is sourced from PubChem (CID 79805453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).