1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone

C14H21F3N2O2 — CID 126758346

IUPAC1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCCCC2)(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O2/c1-11(20)18-9-5-13(6-10-18,14(15,16)17)12(21)19-7-3-2-4-8-19/h2-10H2,1H3
InChIKeyLEZFQTUSMBWZQL-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.19
Rot. Bonds1

About 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone

1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 126758346) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID126758346
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCCCC2)(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O2/c1-11(20)18-9-5-13(6-10-18,14(15,16)17)12(21)19-7-3-2-4-8-19/h2-10H2,1H3
InChIKeyLEZFQTUSMBWZQL-UHFFFAOYSA-N
XLogP2.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 126758346) is 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCCCC2)(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is LEZFQTUSMBWZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-11(20)18-9-5-13(6-10-18,14(15,16)17)12(21)19-7-3-2-4-8-19/h2-10H2,1H3.
What are the key properties of 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone?
1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 306.33 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 126758346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).