[4-(2-acetamidoethyl)piperidin-1-yl] 2,2,2-trifluoroacetate

C11H17F3N2O3 — CID 68877986

IUPAC[4-(2-acetamidoethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCC(=O)NCCC1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-8(17)15-5-2-9-3-6-16(7-4-9)19-10(18)11(12,13)14/h9H,2-7H2,1H3,(H,15,17)
InChIKeyXCVQPDNROJIGTG-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.25
Rot. Bonds4

About [4-(2-acetamidoethyl)piperidin-1-yl] 2,2,2-trifluoroacetate

[4-(2-acetamidoethyl)piperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 68877986) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is [4-(2-acetamidoethyl)piperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-(2-acetamidoethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
PubChem CID68877986
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name[4-(2-acetamidoethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
SMILESCC(=O)NCCC1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-8(17)15-5-2-9-3-6-16(7-4-9)19-10(18)11(12,13)14/h9H,2-7H2,1H3,(H,15,17)
InChIKeyXCVQPDNROJIGTG-UHFFFAOYSA-N
XLogP1.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174751295
N-(2-piperidin-4-ylethyl)acetamide;hydrochloride
CID 70084913
N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide
CID 155154969
2-(1-acetylpiperidin-4-yl)ethylcarbamic acid
CID 118540720
[3-[2-(sulfamoylmethylamino)ethyl]azetidin-1-yl] 2,2,2-trifluoroacetate
CID 163275614
(3-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate
CID 174644487
[4-(methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate
CID 69487812
N-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide
CID 163743916
[3-(cyclopropylmethoxy)azetidin-1-yl] 2,2,2-trifluoroacetate
CID 146272877
[4-(3-bromopropyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174448950
N-[2-[1-(4-methoxypyridine-2-carbonyl)piperidin-4-yl]ethyl]acetamide
CID 91786506

Frequently Asked Questions

What is the IUPAC name of [4-(2-acetamidoethyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-(2-acetamidoethyl)piperidin-1-yl] 2,2,2-trifluoroacetate (CID 68877986) is [4-(2-acetamidoethyl)piperidin-1-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-(2-acetamidoethyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-(2-acetamidoethyl)piperidin-1-yl] 2,2,2-trifluoroacetate is CC(=O)NCCC1CCN(OC(=O)C(F)(F)F)CC1.
What is the InChIKey of [4-(2-acetamidoethyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
The InChIKey is XCVQPDNROJIGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-8(17)15-5-2-9-3-6-16(7-4-9)19-10(18)11(12,13)14/h9H,2-7H2,1H3,(H,15,17).
What are the key properties of [4-(2-acetamidoethyl)piperidin-1-yl] 2,2,2-trifluoroacetate?
[4-(2-acetamidoethyl)piperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 282.26 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-acetamidoethyl)piperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 68877986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).