1-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile

C12H15F3N2O — CID 78994663

IUPAC1-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCCC(C(F)(F)F)C2)CCC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)9-3-1-6-17(7-9)10(18)11(8-16)4-2-5-11/h9H,1-7H2
InChIKeyQJYOMLLVSVNNTL-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.48
Rot. Bonds1

About 1-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile

1-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile (PubChem CID 78994663) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile
PubChem CID78994663
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name1-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCCC(C(F)(F)F)C2)CCC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)9-3-1-6-17(7-9)10(18)11(8-16)4-2-5-11/h9H,1-7H2
InChIKeyQJYOMLLVSVNNTL-UHFFFAOYSA-N
XLogP2.48
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile (CID 78994663) is 1-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile is N#CC1(C(=O)N2CCCC(C(F)(F)F)C2)CCC1.
What is the InChIKey of 1-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile?
The InChIKey is QJYOMLLVSVNNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)9-3-1-6-17(7-9)10(18)11(8-16)4-2-5-11/h9H,1-7H2.
What are the key properties of 1-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile?
1-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile has a molecular weight of 260.26 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 78994663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).