2-methoxy-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]ethanone

C16H18F3NO3 — CID 23723409

IUPAC2-methoxy-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC(C(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H18F3NO3/c1-23-10-14(21)20-8-2-3-12(9-20)15(22)11-4-6-13(7-5-11)16(17,18)19/h4-7,12H,2-3,8-10H2,1H3
InChIKeyYJKMWXPCCNXXSK-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.77
Rot. Bonds4

About 2-methoxy-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]ethanone

2-methoxy-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]ethanone (PubChem CID 23723409) has the molecular formula C16H18F3NO3 and a molecular weight of 329.32 g/mol. Its IUPAC name is 2-methoxy-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]ethanone
PubChem CID23723409
Molecular FormulaC16H18F3NO3
Molecular Weight329.32 g/mol
Exact Mass329.12
IUPAC Name2-methoxy-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC(C(=O)c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H18F3NO3/c1-23-10-14(21)20-8-2-3-12(9-20)15(22)11-4-6-13(7-5-11)16(17,18)19/h4-7,12H,2-3,8-10H2,1H3
InChIKeyYJKMWXPCCNXXSK-UHFFFAOYSA-N
XLogP2.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]ethanone (CID 23723409) is 2-methoxy-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]ethanone is COCC(=O)N1CCCC(C(=O)c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 2-methoxy-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]ethanone?
The InChIKey is YJKMWXPCCNXXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO3/c1-23-10-14(21)20-8-2-3-12(9-20)15(22)11-4-6-13(7-5-11)16(17,18)19/h4-7,12H,2-3,8-10H2,1H3.
What are the key properties of 2-methoxy-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]ethanone?
2-methoxy-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]ethanone has a molecular weight of 329.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 23723409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).