2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-1-piperazin-1-ylethanone

C12H22F3N3O2 — CID 61491632

IUPAC2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-1-piperazin-1-ylethanone
SMILESCN(CCCOCC(F)(F)F)CC(=O)N1CCNCC1
InChIInChI=1S/C12H22F3N3O2/c1-17(5-2-8-20-10-12(13,14)15)9-11(19)18-6-3-16-4-7-18/h16H,2-10H2,1H3
InChIKeyZAJPQUGPTRANER-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.32
Rot. Bonds7

About 2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-1-piperazin-1-ylethanone

2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-1-piperazin-1-ylethanone (PubChem CID 61491632) has the molecular formula C12H22F3N3O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-1-piperazin-1-ylethanone
PubChem CID61491632
Molecular FormulaC12H22F3N3O2
Molecular Weight297.32 g/mol
Exact Mass297.17
IUPAC Name2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-1-piperazin-1-ylethanone
SMILESCN(CCCOCC(F)(F)F)CC(=O)N1CCNCC1
InChIInChI=1S/C12H22F3N3O2/c1-17(5-2-8-20-10-12(13,14)15)9-11(19)18-6-3-16-4-7-18/h16H,2-10H2,1H3
InChIKeyZAJPQUGPTRANER-UHFFFAOYSA-N
XLogP0.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.32
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

N-(3-methoxypropyl)-2-(piperazin-1-yl)acetamide dihydrochloride
CID 137964607
N1-(2-morpholinoethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45585038
N-ethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-1-carboxamide
CID 53609104
2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53609803
3,3-Dimethyl-4-[3-(2,2,3,3-tetrafluoropropoxy)propanoyl]piperazin-2-one
CID 121586878
N-[2-[4-(3,3-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide
CID 88750398
N-[2-[4-(1,1-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide
CID 88750400
2,2-Difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one
CID 121299282
2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 122605534
N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide
CID 135186419
Ethane;2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 168940340
2-(ethylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;molecular hydrogen
CID 168940437

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-1-piperazin-1-ylethanone (CID 61491632) is 2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-1-piperazin-1-ylethanone is CN(CCCOCC(F)(F)F)CC(=O)N1CCNCC1.
What is the InChIKey of 2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-1-piperazin-1-ylethanone?
The InChIKey is ZAJPQUGPTRANER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O2/c1-17(5-2-8-20-10-12(13,14)15)9-11(19)18-6-3-16-4-7-18/h16H,2-10H2,1H3.
What are the key properties of 2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-1-piperazin-1-ylethanone?
2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-1-piperazin-1-ylethanone has a molecular weight of 297.32 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 61491632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).