2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one

C10H17F3N2O2 — CID 81082796

IUPAC2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCOCC(N)C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-17-6-8(14)9(16)15-4-2-3-7(5-15)10(11,12)13/h7-8H,2-6,14H2,1H3
InChIKeyNZPUQMFDGBSRMJ-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.76
Rot. Bonds3

About 2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one

2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one (PubChem CID 81082796) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
PubChem CID81082796
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCOCC(N)C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-17-6-8(14)9(16)15-4-2-3-7(5-15)10(11,12)13/h7-8H,2-6,14H2,1H3
InChIKeyNZPUQMFDGBSRMJ-UHFFFAOYSA-N
XLogP0.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 60918464
1-(2-amino-3-methoxypropanoyl)piperidine-3-carboxamide
CID 81081318
4-amino-5-oxo-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid
CID 64888148
2-amino-3-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 54936811
N-[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]acetamide
CID 81083280
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one
CID 107217182
3-chloro-2-methyl-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 62727952
2-amino-1-(3-ethylsulfanylazepan-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120989656
2-amino-3-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 81101479
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
2-amino-1-(3-benzylpiperidin-1-yl)-3-methoxypropan-1-one
CID 120989216
2-amino-3-methoxy-1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]propan-1-one
CID 120984548

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one (CID 81082796) is 2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one is COCC(N)C(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The InChIKey is NZPUQMFDGBSRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-17-6-8(14)9(16)15-4-2-3-7(5-15)10(11,12)13/h7-8H,2-6,14H2,1H3.
What are the key properties of 2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one?
2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one has a molecular weight of 254.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 81082796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).