N-piperidin-4-yl-2-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C11H16F3N5O — CID 115348281

IUPACN-piperidin-4-yl-2-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ccnn1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)8-19(9-1-3-15-4-2-9)10(20)7-18-6-5-16-17-18/h5-6,9,15H,1-4,7-8H2
InChIKeyKOZHIEPUYWBJTL-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.42
Rot. Bonds4

About N-piperidin-4-yl-2-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-piperidin-4-yl-2-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 115348281) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is N-piperidin-4-yl-2-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-piperidin-4-yl-2-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID115348281
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC NameN-piperidin-4-yl-2-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ccnn1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)8-19(9-1-3-15-4-2-9)10(20)7-18-6-5-16-17-18/h5-6,9,15H,1-4,7-8H2
InChIKeyKOZHIEPUYWBJTL-UHFFFAOYSA-N
XLogP0.42
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-azepan-1-yl-N-[3-(1H-1,2,3-triazol-1-yl)propyl]acetamide
CID 91790947
N-cycloheptyl-2-(triazol-1-yl)acetamide
CID 154733961
2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide
CID 103516020
2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104096657
N-[2-(triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 104100451
2-[3-(triazol-1-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104439227
N-[3-(triazol-1-yl)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 104443438
N-[3-(triazol-1-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 104445490
2,2,2-trifluoro-N-[3-(triazol-1-yl)propyl]acetamide
CID 104449616
N-[2-(triazol-1-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113375274
2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 113412672
2-[3-(triazol-1-yl)propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 113412712

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-2-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-piperidin-4-yl-2-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 115348281) is N-piperidin-4-yl-2-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-piperidin-4-yl-2-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-piperidin-4-yl-2-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1ccnn1)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-2-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KOZHIEPUYWBJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c12-11(13,14)8-19(9-1-3-15-4-2-9)10(20)7-18-6-5-16-17-18/h5-6,9,15H,1-4,7-8H2.
What are the key properties of N-piperidin-4-yl-2-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-piperidin-4-yl-2-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 291.28 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-2-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 115348281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).