methyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate

C13H21F3N2O3 — CID 63122134

IUPACmethyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)C1(C)CCNCC1
InChIInChI=1S/C13H21F3N2O3/c1-12(4-6-17-7-5-12)11(20)18(9-13(14,15)16)8-3-10(19)21-2/h17H,3-9H2,1-2H3
InChIKeyMAEDDIXSOLMMIV-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.33
Rot. Bonds5

About methyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate

methyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 63122134) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is methyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID63122134
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Namemethyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)C1(C)CCNCC1
InChIInChI=1S/C13H21F3N2O3/c1-12(4-6-17-7-5-12)11(20)18(9-13(14,15)16)8-3-10(19)21-2/h17H,3-9H2,1-2H3
InChIKeyMAEDDIXSOLMMIV-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate with MolForge

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Related Compounds

methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 115448091
N,N-bis(2-methoxyethyl)-4-methylpiperidine-4-carboxamide
CID 55179285
methyl 3-[2-chloropropanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 54875687
methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60794433
methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60794156
3-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
CID 55049303
N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710571
methyl 3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 81172635
methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60947149
N,N-bis(2-hydroxyethyl)-4-methylpiperidine-4-carboxamide
CID 63122118
4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992609
methyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 63143846

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate (CID 63122134) is methyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate is COC(=O)CCN(CC(F)(F)F)C(=O)C1(C)CCNCC1.
What is the InChIKey of methyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is MAEDDIXSOLMMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-12(4-6-17-7-5-12)11(20)18(9-13(14,15)16)8-3-10(19)21-2/h17H,3-9H2,1-2H3.
What are the key properties of methyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 310.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 63122134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).