2-pyrrolidin-2-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

C15H26F3N3O2 — CID 119752121

IUPAC2-pyrrolidin-2-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCN1)N1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C15H26F3N3O2/c16-15(17,18)12-23-10-2-5-20-6-8-21(9-7-20)14(22)11-13-3-1-4-19-13/h13,19H,1-12H2
InChIKeyLBDSROJWQPGJNQ-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.24
Rot. Bonds7

About 2-pyrrolidin-2-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone

2-pyrrolidin-2-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone (PubChem CID 119752121) has the molecular formula C15H26F3N3O2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone
PubChem CID119752121
Molecular FormulaC15H26F3N3O2
Molecular Weight337.39 g/mol
Exact Mass337.20
IUPAC Name2-pyrrolidin-2-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCN1)N1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C15H26F3N3O2/c16-15(17,18)12-23-10-2-5-20-6-8-21(9-7-20)14(22)11-13-3-1-4-19-13/h13,19H,1-12H2
InChIKeyLBDSROJWQPGJNQ-UHFFFAOYSA-N
XLogP1.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 61364492
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119860173
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119834001
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119833010
2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride
CID 119895118
N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 119785684
(5R)-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 95235512
1-[4-(2-phenylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119838033
2,2-dimethyl-1-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119708849
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119887210

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-pyrrolidin-2-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone (CID 119752121) is 2-pyrrolidin-2-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-pyrrolidin-2-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-pyrrolidin-2-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone is O=C(CC1CCCN1)N1CCN(CCCOCC(F)(F)F)CC1.
What is the InChIKey of 2-pyrrolidin-2-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone?
The InChIKey is LBDSROJWQPGJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O2/c16-15(17,18)12-23-10-2-5-20-6-8-21(9-7-20)14(22)11-13-3-1-4-19-13/h13,19H,1-12H2.
What are the key properties of 2-pyrrolidin-2-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone?
2-pyrrolidin-2-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone has a molecular weight of 337.39 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 119752121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).