3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide

C9H14F3N3O3 — CID 81340627

IUPAC3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCCC(C(=O)NOCC(F)(F)F)C1
InChIInChI=1S/C9H14F3N3O3/c10-9(11,12)5-18-14-7(16)6-2-1-3-15(4-6)8(13)17/h6H,1-5H2,(H2,13,17)(H,14,16)
InChIKeyPDVPGKMIUWHZFC-UHFFFAOYSA-N
MW269.22 g/mol
LogP0.39
Rot. Bonds3

About 3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide

3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide (PubChem CID 81340627) has the molecular formula C9H14F3N3O3 and a molecular weight of 269.22 g/mol. Its IUPAC name is 3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide
PubChem CID81340627
Molecular FormulaC9H14F3N3O3
Molecular Weight269.22 g/mol
Exact Mass269.10
IUPAC Name3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCCC(C(=O)NOCC(F)(F)F)C1
InChIInChI=1S/C9H14F3N3O3/c10-9(11,12)5-18-14-7(16)6-2-1-3-15(4-6)8(13)17/h6H,1-5H2,(H2,13,17)(H,14,16)
InChIKeyPDVPGKMIUWHZFC-UHFFFAOYSA-N
XLogP0.39
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1-carbamoylpiperidine-3-carbonyl)amino]oxyacetic acid
CID 63914917
1-methylsulfonyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide
CID 81343242
3-N-cyclopentyloxypiperidine-1,3-dicarboxamide
CID 83202179
N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 112550543
3-O-methyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,3-dicarboxylate
CID 78924639
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
3-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
CID 83992254
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79792508
3-N-[(2S)-2-hydroxypropyl]piperidine-1,3-dicarboxamide
CID 83059648
3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 103750590
ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate
CID 61344950
3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 70731830

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide (CID 81340627) is 3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide is NC(=O)N1CCCC(C(=O)NOCC(F)(F)F)C1.
What is the InChIKey of 3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide?
The InChIKey is PDVPGKMIUWHZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O3/c10-9(11,12)5-18-14-7(16)6-2-1-3-15(4-6)8(13)17/h6H,1-5H2,(H2,13,17)(H,14,16).
What are the key properties of 3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide?
3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide has a molecular weight of 269.22 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 81340627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).