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

C12H18F3N5O — CID 119060581

IUPAC1,4-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCN1CCC(C)(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CC1
InChIInChI=1S/C12H18F3N5O/c1-11(3-5-20(2)6-4-11)10(21)16-7-8-17-9(19-18-8)12(13,14)15/h3-7H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyDVZUODASFSACMQ-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.17
Rot. Bonds3

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

1,4-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 119060581) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 1,4-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID119060581
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name1,4-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCN1CCC(C)(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CC1
InChIInChI=1S/C12H18F3N5O/c1-11(3-5-20(2)6-4-11)10(21)16-7-8-17-9(19-18-8)12(13,14)15/h3-7H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyDVZUODASFSACMQ-UHFFFAOYSA-N
XLogP1.17
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

Analyze 1,4-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-acetyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide
CID 43051664
1-ethyl-3-methyl-N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)ethyl]-3-piperidinecarboxamide
CID 72896844
4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide
CID 75463312
n-[(3s,4s)-4-(3-Methyl-1h-1,2,4-triazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 86820534
1-Cyclopropanecarbonyl-4-[(5-ethyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 124043116
1-[4-[(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 126831327
[(3S,4S)-4-ethyl-3-fluoropiperidin-1-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 139353801
(3,3-difluoropiperidin-1-yl)-(5-methyl-1H-1,2,4-triazol-3-yl)methanone
CID 145336249
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-3-methyl-1H-1,2,4-triazole-5-carboxamide
CID 132227915
1-(2-methylpropanoyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-4-carboxamide
CID 33504436
3,3-dimethyl-N-[2-oxo-2-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]ethyl]butanamide
CID 51091761
1-N,1-N-dimethyl-4-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidine-1,4-dicarboxamide
CID 60499613

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1,4-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide (CID 119060581) is 1,4-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide is CN1CCC(C)(C(=O)NCc2nc(C(F)(F)F)n[nH]2)CC1.
What is the InChIKey of 1,4-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is DVZUODASFSACMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-11(3-5-20(2)6-4-11)10(21)16-7-8-17-9(19-18-8)12(13,14)15/h3-7H2,1-2H3,(H,16,21)(H,17,18,19).
What are the key properties of 1,4-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide?
1,4-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119060581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).