2-(5-methyltetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C10H14F3N5O — CID 146127005

IUPAC2-(5-methyltetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCc1nnnn1CC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H14F3N5O/c1-7-14-15-16-18(7)6-9(19)17-4-2-3-8(5-17)10(11,12)13/h8H,2-6H2,1H3
InChIKeyHMTOYPMVPZHILZ-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.78
Rot. Bonds2

About 2-(5-methyltetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-(5-methyltetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 146127005) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-(5-methyltetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-methyltetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID146127005
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC Name2-(5-methyltetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCc1nnnn1CC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H14F3N5O/c1-7-14-15-16-18(7)6-9(19)17-4-2-3-8(5-17)10(11,12)13/h8H,2-6H2,1H3
InChIKeyHMTOYPMVPZHILZ-UHFFFAOYSA-N
XLogP0.78
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyltetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-methyltetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 146127005) is 2-(5-methyltetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-methyltetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-methyltetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is Cc1nnnn1CC(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(5-methyltetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is HMTOYPMVPZHILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c1-7-14-15-16-18(7)6-9(19)17-4-2-3-8(5-17)10(11,12)13/h8H,2-6H2,1H3.
What are the key properties of 2-(5-methyltetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(5-methyltetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 277.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyltetrazol-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 146127005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).