3-piperidin-3-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride

C12H19ClF3N5O — CID 119675873

IUPAC3-piperidin-3-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride
SMILESCC(CC(=O)Nc1n[nH]c(C(F)(F)F)n1)C1CCCNC1.Cl
InChIInChI=1S/C12H18F3N5O.ClH/c1-7(8-3-2-4-16-6-8)5-9(21)17-11-18-10(19-20-11)12(13,14)15;/h7-8,16H,2-6H2,1H3,(H2,17,18,19,20,21);1H
InChIKeyNYAZZZDGYHHZMM-UHFFFAOYSA-N
MW341.77 g/mol
LogP2.21
Rot. Bonds4

About 3-piperidin-3-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride

3-piperidin-3-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride (PubChem CID 119675873) has the molecular formula C12H19ClF3N5O and a molecular weight of 341.77 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride
PubChem CID119675873
Molecular FormulaC12H19ClF3N5O
Molecular Weight341.77 g/mol
Exact Mass341.12
IUPAC Name3-piperidin-3-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride
SMILESCC(CC(=O)Nc1n[nH]c(C(F)(F)F)n1)C1CCCNC1.Cl
InChIInChI=1S/C12H18F3N5O.ClH/c1-7(8-3-2-4-16-6-8)5-9(21)17-11-18-10(19-20-11)12(13,14)15;/h7-8,16H,2-6H2,1H3,(H2,17,18,19,20,21);1H
InChIKeyNYAZZZDGYHHZMM-UHFFFAOYSA-N
XLogP2.21
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride?
The IUPAC name of 3-piperidin-3-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride (CID 119675873) is 3-piperidin-3-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride?
The canonical SMILES for 3-piperidin-3-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride is CC(CC(=O)Nc1n[nH]c(C(F)(F)F)n1)C1CCCNC1.Cl.
What is the InChIKey of 3-piperidin-3-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride?
The InChIKey is NYAZZZDGYHHZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O.ClH/c1-7(8-3-2-4-16-6-8)5-9(21)17-11-18-10(19-20-11)12(13,14)15;/h7-8,16H,2-6H2,1H3,(H2,17,18,19,20,21);1H.
What are the key properties of 3-piperidin-3-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride?
3-piperidin-3-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride has a molecular weight of 341.77 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide;hydrochloride is sourced from PubChem (CID 119675873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).