1-[2-[ethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carbohydrazide

C12H21F3N4O2 — CID 63583185

IUPAC1-[2-[ethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carbohydrazide
SMILESCCN(CC(=O)N1CCC(C(=O)NN)CC1)CC(F)(F)F
InChIInChI=1S/C12H21F3N4O2/c1-2-18(8-12(13,14)15)7-10(20)19-5-3-9(4-6-19)11(21)17-16/h9H,2-8,16H2,1H3,(H,17,21)
InChIKeyPEMOURNVAMJODB-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.10
Rot. Bonds5

About 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carbohydrazide

1-[2-[ethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carbohydrazide (PubChem CID 63583185) has the molecular formula C12H21F3N4O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[ethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carbohydrazide
PubChem CID63583185
Molecular FormulaC12H21F3N4O2
Molecular Weight310.32 g/mol
Exact Mass310.16
IUPAC Name1-[2-[ethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carbohydrazide
SMILESCCN(CC(=O)N1CCC(C(=O)NN)CC1)CC(F)(F)F
InChIInChI=1S/C12H21F3N4O2/c1-2-18(8-12(13,14)15)7-10(20)19-5-3-9(4-6-19)11(21)17-16/h9H,2-8,16H2,1H3,(H,17,21)
InChIKeyPEMOURNVAMJODB-UHFFFAOYSA-N
XLogP0.10
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carbohydrazide (CID 63583185) is 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carbohydrazide is CCN(CC(=O)N1CCC(C(=O)NN)CC1)CC(F)(F)F.
What is the InChIKey of 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carbohydrazide?
The InChIKey is PEMOURNVAMJODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O2/c1-2-18(8-12(13,14)15)7-10(20)19-5-3-9(4-6-19)11(21)17-16/h9H,2-8,16H2,1H3,(H,17,21).
What are the key properties of 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carbohydrazide?
1-[2-[ethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carbohydrazide has a molecular weight of 310.32 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 63583185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).