[2-[ethyl(1-piperidin-4-ylpropyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate

C14H23F3N2O3 — CID 137369411

IUPAC[2-[ethyl(1-piperidin-4-ylpropyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESCCC(C1CCNCC1)N(CC)C(=O)COC(=O)C(F)(F)F
InChIInChI=1S/C14H23F3N2O3/c1-3-11(10-5-7-18-8-6-10)19(4-2)12(20)9-22-13(21)14(15,16)17/h10-11,18H,3-9H2,1-2H3
InChIKeyTURFZAZSMKYTAZ-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.72
Rot. Bonds6

About [2-[ethyl(1-piperidin-4-ylpropyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate

[2-[ethyl(1-piperidin-4-ylpropyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate (PubChem CID 137369411) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is [2-[ethyl(1-piperidin-4-ylpropyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-[ethyl(1-piperidin-4-ylpropyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
PubChem CID137369411
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC Name[2-[ethyl(1-piperidin-4-ylpropyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESCCC(C1CCNCC1)N(CC)C(=O)COC(=O)C(F)(F)F
InChIInChI=1S/C14H23F3N2O3/c1-3-11(10-5-7-18-8-6-10)19(4-2)12(20)9-22-13(21)14(15,16)17/h10-11,18H,3-9H2,1-2H3
InChIKeyTURFZAZSMKYTAZ-UHFFFAOYSA-N
XLogP1.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[ethyl(1-piperidin-4-ylpropyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate 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-ethoxy-N-((1-isopropylpiperidin-4-yl)methyl)acetamide
CID 45558399
Methyl 4-((2-ethoxyacetamido)methyl)piperidine-1-carboxylate
CID 49688690
[2-oxo-2-[[(3S)-piperidin-3-yl]methylamino]ethyl] 2,2,2-trifluoroacetate
CID 68471173
[2-[Methyl(piperidin-4-yl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 68475368
[2-[Methyl(piperidin-4-ylmethyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 68476074
[2-Oxo-2-(piperidin-3-ylmethylamino)ethyl] 2,2,2-trifluoroacetate
CID 77503681
[1-Oxo-1-(piperidin-4-ylmethylamino)propan-2-yl] 2,2,2-trifluoroacetate
CID 90879080
2,2-Difluoro-5,6-di(propan-2-yl)morpholin-3-one
CID 123225313
[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate
CID 129256140
[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2R)-2-aminopropanoate
CID 129256141
[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl] (2R)-2-aminopropanoate
CID 129260934
[2-(3,3-difluoro-4-methylpiperidin-1-yl)-2-oxoethyl] (2S)-2-aminopropanoate
CID 129260935

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(1-piperidin-4-ylpropyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-[ethyl(1-piperidin-4-ylpropyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate (CID 137369411) is [2-[ethyl(1-piperidin-4-ylpropyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-[ethyl(1-piperidin-4-ylpropyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-[ethyl(1-piperidin-4-ylpropyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate is CCC(C1CCNCC1)N(CC)C(=O)COC(=O)C(F)(F)F.
What is the InChIKey of [2-[ethyl(1-piperidin-4-ylpropyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
The InChIKey is TURFZAZSMKYTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O3/c1-3-11(10-5-7-18-8-6-10)19(4-2)12(20)9-22-13(21)14(15,16)17/h10-11,18H,3-9H2,1-2H3.
What are the key properties of [2-[ethyl(1-piperidin-4-ylpropyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate?
[2-[ethyl(1-piperidin-4-ylpropyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate has a molecular weight of 324.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(1-piperidin-4-ylpropyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 137369411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).