N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2H-triazole-4-carboxamide

C12H18F3N5O — CID 71979288

IUPACN-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2H-triazole-4-carboxamide
SMILESO=C(NCCC1CCN(CC(F)(F)F)CC1)c1cn[nH]n1
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)8-20-5-2-9(3-6-20)1-4-16-11(21)10-7-17-19-18-10/h7,9H,1-6,8H2,(H,16,21)(H,17,18,19)
InChIKeyPGYVXHBEGAKUQJ-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.20
Rot. Bonds5

About N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2H-triazole-4-carboxamide

N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2H-triazole-4-carboxamide (PubChem CID 71979288) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2H-triazole-4-carboxamide
PubChem CID71979288
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC NameN-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2H-triazole-4-carboxamide
SMILESO=C(NCCC1CCN(CC(F)(F)F)CC1)c1cn[nH]n1
InChIInChI=1S/C12H18F3N5O/c13-12(14,15)8-20-5-2-9(3-6-20)1-4-16-11(21)10-7-17-19-18-10/h7,9H,1-6,8H2,(H,16,21)(H,17,18,19)
InChIKeyPGYVXHBEGAKUQJ-UHFFFAOYSA-N
XLogP1.20
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-methylbutyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 53509796
Piperazinyl(1h-1,2,3-triazol-4-yl)methanone
CID 62047765
1-(1-methyl-1H-1,2,3-triazole-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676931
N-[(1-ethylpyrrolidin-2-yl)methyl]-2H-triazole-4-carboxamide
CID 53527241
N-(4-methylcyclohexyl)-1H-1,2,3-triazole-5-carboxamide
CID 76146781
4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(1H-1,2,3-triazol-5-ylcarbonyl)piperidine
CID 118767431
2H-triazol-4-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 129375621
1-ethyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]triazole-4-carboxamide
CID 164640152
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-1-(2-amino-2-oxoethyl)-1H-1,2,3-triazole-4-carboxamide
CID 132227911
2H-triazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 47336883
N-[4-(trifluoromethyl)cyclohexyl]-2H-triazole-4-carboxamide
CID 47338305
[4-(2,2-difluoroethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 49070014

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2H-triazole-4-carboxamide (CID 71979288) is N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2H-triazole-4-carboxamide is O=C(NCCC1CCN(CC(F)(F)F)CC1)c1cn[nH]n1.
What is the InChIKey of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2H-triazole-4-carboxamide?
The InChIKey is PGYVXHBEGAKUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c13-12(14,15)8-20-5-2-9(3-6-20)1-4-16-11(21)10-7-17-19-18-10/h7,9H,1-6,8H2,(H,16,21)(H,17,18,19).
What are the key properties of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2H-triazole-4-carboxamide?
N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2H-triazole-4-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 71979288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).