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

C12H18F3N5O — CID 119061880

IUPAC1-ethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCN1CCCC(C(=O)NCc2nc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C12H18F3N5O/c1-2-20-5-3-4-8(7-20)10(21)16-6-9-17-11(19-18-9)12(13,14)15/h8H,2-7H2,1H3,(H,16,21)(H,17,18,19)
InChIKeyFQMZLBXSODFDBU-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.17
Rot. Bonds4

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

1-ethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 119061880) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-ethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID119061880
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name1-ethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCN1CCCC(C(=O)NCc2nc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C12H18F3N5O/c1-2-20-5-3-4-8(7-20)10(21)16-6-9-17-11(19-18-9)12(13,14)15/h8H,2-7H2,1H3,(H,16,21)(H,17,18,19)
InChIKeyFQMZLBXSODFDBU-UHFFFAOYSA-N
XLogP1.17
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-methyl-N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)ethyl]-3-piperidinecarboxamide
CID 72896844
n-[(3s,4s)-4-(3-Methyl-1h-1,2,4-triazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 86820534
(3S)-1-cycloheptyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 97132151
[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 139353801
3-methyl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 141332170
1-(2-methylpropanoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide
CID 33504436
1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide
CID 45913967
(3S)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide
CID 51963890
(3R)-1-N,1-N-diethyl-3-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,3-dicarboxamide
CID 51963892
1-N,1-N-dimethyl-4-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,4-dicarboxamide
CID 60499613
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64518253
piperidin-3-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 64576945

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide (CID 119061880) is 1-ethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide is CCN1CCCC(C(=O)NCc2nc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of 1-ethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is FQMZLBXSODFDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-2-20-5-3-4-8(7-20)10(21)16-6-9-17-11(19-18-9)12(13,14)15/h8H,2-7H2,1H3,(H,16,21)(H,17,18,19).
What are the key properties of 1-ethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide?
1-ethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119061880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).