2-[[5-(trifluoromethyl)piperidine-2-carbonyl]amino]ethyl carbamate

C10H16F3N3O3 — CID 114908971

IUPAC2-[[5-(trifluoromethyl)piperidine-2-carbonyl]amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)6-1-2-7(16-5-6)8(17)15-3-4-19-9(14)18/h6-7,16H,1-5H2,(H2,14,18)(H,15,17)
InChIKeyIWBFXPVPNJEZEE-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.13
Rot. Bonds4

About 2-[[5-(trifluoromethyl)piperidine-2-carbonyl]amino]ethyl carbamate

2-[[5-(trifluoromethyl)piperidine-2-carbonyl]amino]ethyl carbamate (PubChem CID 114908971) has the molecular formula C10H16F3N3O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)piperidine-2-carbonyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)piperidine-2-carbonyl]amino]ethyl carbamate
PubChem CID114908971
Molecular FormulaC10H16F3N3O3
Molecular Weight283.25 g/mol
Exact Mass283.11
IUPAC Name2-[[5-(trifluoromethyl)piperidine-2-carbonyl]amino]ethyl carbamate
SMILESNC(=O)OCCNC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C10H16F3N3O3/c11-10(12,13)6-1-2-7(16-5-6)8(17)15-3-4-19-9(14)18/h6-7,16H,1-5H2,(H2,14,18)(H,15,17)
InChIKeyIWBFXPVPNJEZEE-UHFFFAOYSA-N
XLogP0.13
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)piperidine-2-carbonyl]amino]ethyl carbamate?
The IUPAC name of 2-[[5-(trifluoromethyl)piperidine-2-carbonyl]amino]ethyl carbamate (CID 114908971) is 2-[[5-(trifluoromethyl)piperidine-2-carbonyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[5-(trifluoromethyl)piperidine-2-carbonyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[5-(trifluoromethyl)piperidine-2-carbonyl]amino]ethyl carbamate is NC(=O)OCCNC(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of 2-[[5-(trifluoromethyl)piperidine-2-carbonyl]amino]ethyl carbamate?
The InChIKey is IWBFXPVPNJEZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3/c11-10(12,13)6-1-2-7(16-5-6)8(17)15-3-4-19-9(14)18/h6-7,16H,1-5H2,(H2,14,18)(H,15,17).
What are the key properties of 2-[[5-(trifluoromethyl)piperidine-2-carbonyl]amino]ethyl carbamate?
2-[[5-(trifluoromethyl)piperidine-2-carbonyl]amino]ethyl carbamate has a molecular weight of 283.25 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)piperidine-2-carbonyl]amino]ethyl carbamate is sourced from PubChem (CID 114908971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).