N-[(3R,6R)-1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

C12H18F3N5O — CID 129350127

IUPACN-[(3R,6R)-1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(Cc2cnnn2C)C1
InChIInChI=1S/C12H18F3N5O/c1-8(21)17-9-3-4-11(12(13,14)15)20(6-9)7-10-5-16-18-19(10)2/h5,9,11H,3-4,6-7H2,1-2H3,(H,17,21)/t9-,11-/m1/s1
InChIKeyNJBHGSLIJCNVCP-MWLCHTKSSA-N
MW305.30 g/mol
LogP0.85
Rot. Bonds3

About N-[(3R,6R)-1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[(3R,6R)-1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 129350127) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is N-[(3R,6R)-1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,6R)-1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID129350127
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC NameN-[(3R,6R)-1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(Cc2cnnn2C)C1
InChIInChI=1S/C12H18F3N5O/c1-8(21)17-9-3-4-11(12(13,14)15)20(6-9)7-10-5-16-18-19(10)2/h5,9,11H,3-4,6-7H2,1-2H3,(H,17,21)/t9-,11-/m1/s1
InChIKeyNJBHGSLIJCNVCP-MWLCHTKSSA-N
XLogP0.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,6R)-1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R,6R)-1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 129350127) is N-[(3R,6R)-1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,6R)-1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,6R)-1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(Cc2cnnn2C)C1.
What is the InChIKey of N-[(3R,6R)-1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is NJBHGSLIJCNVCP-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-8(21)17-9-3-4-11(12(13,14)15)20(6-9)7-10-5-16-18-19(10)2/h5,9,11H,3-4,6-7H2,1-2H3,(H,17,21)/t9-,11-/m1/s1.
What are the key properties of N-[(3R,6R)-1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[(3R,6R)-1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 305.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6R)-1-[(3-methyltriazol-4-yl)methyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 129350127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).