N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide

C11H16F3N5O — CID 114908989

IUPACN-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(NCCn1ccnn1)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)8-1-2-9(16-7-8)10(20)15-3-5-19-6-4-17-18-19/h4,6,8-9,16H,1-3,5,7H2,(H,15,20)
InChIKeyGKWHNCDIIKLMPK-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.32
Rot. Bonds4

About N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide

N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908989) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908989
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC NameN-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(NCCn1ccnn1)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)8-1-2-9(16-7-8)10(20)15-3-5-19-6-4-17-18-19/h4,6,8-9,16H,1-3,5,7H2,(H,15,20)
InChIKeyGKWHNCDIIKLMPK-UHFFFAOYSA-N
XLogP0.32
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908989) is N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide is O=C(NCCn1ccnn1)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is GKWHNCDIIKLMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c12-11(13,14)8-1-2-9(16-7-8)10(20)15-3-5-19-6-4-17-18-19/h4,6,8-9,16H,1-3,5,7H2,(H,15,20).
What are the key properties of N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 291.28 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).