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

C11H17ClF3N5O2 — CID 120616712

IUPAC4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)Nc2n[nH]c(C(F)(F)F)n2)CCNCC1.Cl
InChIInChI=1S/C11H16F3N5O2.ClH/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);1H
InChIKeyBNSKJDXXEDMQHJ-UHFFFAOYSA-N
MW343.74 g/mol
LogP1.20
Rot. Bonds4

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

4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120616712) has the molecular formula C11H17ClF3N5O2 and a molecular weight of 343.74 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID120616712
Molecular FormulaC11H17ClF3N5O2
Molecular Weight343.74 g/mol
Exact Mass343.10
IUPAC Name4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)Nc2n[nH]c(C(F)(F)F)n2)CCNCC1.Cl
InChIInChI=1S/C11H16F3N5O2.ClH/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);1H
InChIKeyBNSKJDXXEDMQHJ-UHFFFAOYSA-N
XLogP1.20
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.74
LogP ≤ 51.20
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;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide;hydrochloride (CID 120616712) is 4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)Nc2n[nH]c(C(F)(F)F)n2)CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is BNSKJDXXEDMQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O2.ClH/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);1H.
What are the key properties of 4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide;hydrochloride?
4-(methoxymethyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 343.74 g/mol, XLogP of 1.20, 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;hydrochloride is sourced from PubChem (CID 120616712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).