2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide

C15H26F3N3O — CID 119898449

IUPAC2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
SMILESO=C(CC1CCCN1)NCCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H26F3N3O/c16-15(17,18)11-21-8-4-12(5-9-21)3-7-20-14(22)10-13-2-1-6-19-13/h12-13,19H,1-11H2,(H,20,22)
InChIKeyGXOSLSUXBTWYIO-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.91
Rot. Bonds6

About 2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide

2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide (PubChem CID 119898449) has the molecular formula C15H26F3N3O and a molecular weight of 321.39 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
PubChem CID119898449
Molecular FormulaC15H26F3N3O
Molecular Weight321.39 g/mol
Exact Mass321.20
IUPAC Name2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
SMILESO=C(CC1CCCN1)NCCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H26F3N3O/c16-15(17,18)11-21-8-4-12(5-9-21)3-7-20-14(22)10-13-2-1-6-19-13/h12-13,19H,1-11H2,(H,20,22)
InChIKeyGXOSLSUXBTWYIO-UHFFFAOYSA-N
XLogP1.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 113267487
N-(2-cyclohexylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119725744
N-(2-cyclohexylethyl)-2-piperidin-2-ylacetamide
CID 54932758
2-pyrrolidin-2-yl-N-(4,4,4-trifluorobutyl)acetamide;hydrochloride
CID 119781580
2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 61364492
N-(2-piperidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide
CID 54967426
2-(1-methoxycyclobutyl)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide
CID 119047742
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835586
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-2-pyrrolidin-2-ylacetamide
CID 119895457
(2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide
CID 120638355
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119737430
N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209753

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide?
The IUPAC name of 2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide (CID 119898449) is 2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide?
The canonical SMILES for 2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide is O=C(CC1CCCN1)NCCC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide?
The InChIKey is GXOSLSUXBTWYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O/c16-15(17,18)11-21-8-4-12(5-9-21)3-7-20-14(22)10-13-2-1-6-19-13/h12-13,19H,1-11H2,(H,20,22).
What are the key properties of 2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide?
2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide has a molecular weight of 321.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 119898449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).