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

C12H18F3N5O — CID 114908806

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCC(C(F)(F)F)CN1)c1nncn1C
InChIInChI=1S/C12H18F3N5O/c1-7(10-19-17-6-20(10)2)18-11(21)9-4-3-8(5-16-9)12(13,14)15/h6-9,16H,3-5H2,1-2H3,(H,18,21)
InChIKeyGQBRXPDMCDTIEE-UHFFFAOYSA-N
MW305.30 g/mol
LogP0.92
Rot. Bonds3

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

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908806) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908806
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCC(C(F)(F)F)CN1)c1nncn1C
InChIInChI=1S/C12H18F3N5O/c1-7(10-19-17-6-20(10)2)18-11(21)9-4-3-8(5-16-9)12(13,14)15/h6-9,16H,3-5H2,1-2H3,(H,18,21)
InChIKeyGQBRXPDMCDTIEE-UHFFFAOYSA-N
XLogP0.92
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide
CID 45199342
1-(2-amino-2-oxoethyl)-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 47000434
1-(2-amino-2-oxoethyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 70752710
1-(cyclopropylcarbonyl)-N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]-4-piperidinecarboxamide
CID 72852342
N-[cyclopropyl(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72870669
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72872954
1-cyclohexyl-N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72888150
1-isopropyl-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72907236
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-1-isopropyl-4-piperidinecarboxamide
CID 72927971
N-[1-(4-cyclopentyl-4H-1,2,4-triazol-3-yl)ethyl]-1-isopropyl-4-piperidinecarboxamide
CID 72936434
2-(1-isopropyl-4-piperidinyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 72941163
[4-(4-Propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 53192618

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908806) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide is CC(NC(=O)C1CCC(C(F)(F)F)CN1)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is GQBRXPDMCDTIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-7(10-19-17-6-20(10)2)18-11(21)9-4-3-8(5-16-9)12(13,14)15/h6-9,16H,3-5H2,1-2H3,(H,18,21).
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).