1-piperidin-4-yl-N-(3,3,3-trifluoropropyl)triazole-4-carboxamide

C11H16F3N5O — CID 63284582

IUPAC1-piperidin-4-yl-N-(3,3,3-trifluoropropyl)triazole-4-carboxamide
SMILESO=C(NCCC(F)(F)F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)3-6-16-10(20)9-7-19(18-17-9)8-1-4-15-5-2-8/h7-8,15H,1-6H2,(H,16,20)
InChIKeyWPUSPYWROTVIGK-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.88
Rot. Bonds4

About 1-piperidin-4-yl-N-(3,3,3-trifluoropropyl)triazole-4-carboxamide

1-piperidin-4-yl-N-(3,3,3-trifluoropropyl)triazole-4-carboxamide (PubChem CID 63284582) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(3,3,3-trifluoropropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(3,3,3-trifluoropropyl)triazole-4-carboxamide
PubChem CID63284582
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name1-piperidin-4-yl-N-(3,3,3-trifluoropropyl)triazole-4-carboxamide
SMILESO=C(NCCC(F)(F)F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)3-6-16-10(20)9-7-19(18-17-9)8-1-4-15-5-2-8/h7-8,15H,1-6H2,(H,16,20)
InChIKeyWPUSPYWROTVIGK-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(3,3,3-trifluoropropyl)triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-(3,3,3-trifluoropropyl)triazole-4-carboxamide (CID 63284582) is 1-piperidin-4-yl-N-(3,3,3-trifluoropropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(3,3,3-trifluoropropyl)triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-(3,3,3-trifluoropropyl)triazole-4-carboxamide is O=C(NCCC(F)(F)F)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-(3,3,3-trifluoropropyl)triazole-4-carboxamide?
The InChIKey is WPUSPYWROTVIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c12-11(13,14)3-6-16-10(20)9-7-19(18-17-9)8-1-4-15-5-2-8/h7-8,15H,1-6H2,(H,16,20).
What are the key properties of 1-piperidin-4-yl-N-(3,3,3-trifluoropropyl)triazole-4-carboxamide?
1-piperidin-4-yl-N-(3,3,3-trifluoropropyl)triazole-4-carboxamide has a molecular weight of 291.28 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(3,3,3-trifluoropropyl)triazole-4-carboxamide is sourced from PubChem (CID 63284582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).