1-(2-methylcyclopropanecarbonyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-2-carboxamide

C14H18F3N5O2 — CID 75420108

IUPAC1-(2-methylcyclopropanecarbonyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-2-carboxamide
SMILESCC1CC1C(=O)N1CCCCC1C(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C14H18F3N5O2/c1-7-6-8(7)11(24)22-5-3-2-4-9(22)10(23)18-13-19-12(20-21-13)14(15,16)17/h7-9H,2-6H2,1H3,(H2,18,19,20,21,23)
InChIKeyWEHZRQWFGZAKIU-UHFFFAOYSA-N
MW345.33 g/mol
LogP1.80
Rot. Bonds3

About 1-(2-methylcyclopropanecarbonyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-2-carboxamide

1-(2-methylcyclopropanecarbonyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-2-carboxamide (PubChem CID 75420108) has the molecular formula C14H18F3N5O2 and a molecular weight of 345.33 g/mol. Its IUPAC name is 1-(2-methylcyclopropanecarbonyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methylcyclopropanecarbonyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-2-carboxamide
PubChem CID75420108
Molecular FormulaC14H18F3N5O2
Molecular Weight345.33 g/mol
Exact Mass345.14
IUPAC Name1-(2-methylcyclopropanecarbonyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-2-carboxamide
SMILESCC1CC1C(=O)N1CCCCC1C(=O)Nc1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C14H18F3N5O2/c1-7-6-8(7)11(24)22-5-3-2-4-9(22)10(23)18-13-19-12(20-21-13)14(15,16)17/h7-9H,2-6H2,1H3,(H2,18,19,20,21,23)
InChIKeyWEHZRQWFGZAKIU-UHFFFAOYSA-N
XLogP1.80
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopropanecarbonyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-2-carboxamide?
The IUPAC name of 1-(2-methylcyclopropanecarbonyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-2-carboxamide (CID 75420108) is 1-(2-methylcyclopropanecarbonyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(2-methylcyclopropanecarbonyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-2-carboxamide?
The canonical SMILES for 1-(2-methylcyclopropanecarbonyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-2-carboxamide is CC1CC1C(=O)N1CCCCC1C(=O)Nc1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 1-(2-methylcyclopropanecarbonyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-2-carboxamide?
The InChIKey is WEHZRQWFGZAKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O2/c1-7-6-8(7)11(24)22-5-3-2-4-9(22)10(23)18-13-19-12(20-21-13)14(15,16)17/h7-9H,2-6H2,1H3,(H2,18,19,20,21,23).
What are the key properties of 1-(2-methylcyclopropanecarbonyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-2-carboxamide?
1-(2-methylcyclopropanecarbonyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-2-carboxamide has a molecular weight of 345.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropanecarbonyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-2-carboxamide is sourced from PubChem (CID 75420108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).