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

C11H16F3N5O2 — CID 120616713

IUPAC4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2n[nH]c(C(F)(F)F)n2)CCNCC1
InChIInChI=1S/C11H16F3N5O2/c1-21-6-10(2-4-15-5-3-10)8(20)17-9-16-7(18-19-9)11(12,13)14/h15H,2-6H2,1H3,(H2,16,17,18,19,20)
InChIKeyCNEPKFIMXAVDQL-UHFFFAOYSA-N
MW307.28 g/mol
LogP0.78
Rot. Bonds4

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

4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide (PubChem CID 120616713) has the molecular formula C11H16F3N5O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide
PubChem CID120616713
Molecular FormulaC11H16F3N5O2
Molecular Weight307.28 g/mol
Exact Mass307.13
IUPAC Name4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2n[nH]c(C(F)(F)F)n2)CCNCC1
InChIInChI=1S/C11H16F3N5O2/c1-21-6-10(2-4-15-5-3-10)8(20)17-9-16-7(18-19-9)11(12,13)14/h15H,2-6H2,1H3,(H2,16,17,18,19,20)
InChIKeyCNEPKFIMXAVDQL-UHFFFAOYSA-N
XLogP0.78
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide (CID 120616713) is 4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide is COCC1(C(=O)Nc2n[nH]c(C(F)(F)F)n2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide?
The InChIKey is CNEPKFIMXAVDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O2/c1-21-6-10(2-4-15-5-3-10)8(20)17-9-16-7(18-19-9)11(12,13)14/h15H,2-6H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide has a molecular weight of 307.28 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 120616713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).