4-methyl-6-(3-phenylpropyl)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one

C22H24F3NO3 — CID 170506788

IUPAC4-methyl-6-(3-phenylpropyl)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one
SMILESCc1cc(CCCc2ccccc2)oc(=O)c1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C22H24F3NO3/c1-15-14-18(9-5-8-16-6-3-2-4-7-16)29-21(28)19(15)20(27)26-12-10-17(11-13-26)22(23,24)25/h2-4,6-7,14,17H,5,8-13H2,1H3
InChIKeyCSNPZCFQCAFCGQ-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.54
Rot. Bonds5

About 4-methyl-6-(3-phenylpropyl)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one

4-methyl-6-(3-phenylpropyl)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one (PubChem CID 170506788) has the molecular formula C22H24F3NO3 and a molecular weight of 407.43 g/mol. Its IUPAC name is 4-methyl-6-(3-phenylpropyl)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one.

Molecular Properties

Compound Name4-methyl-6-(3-phenylpropyl)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one
PubChem CID170506788
Molecular FormulaC22H24F3NO3
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Name4-methyl-6-(3-phenylpropyl)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one
SMILESCc1cc(CCCc2ccccc2)oc(=O)c1C(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C22H24F3NO3/c1-15-14-18(9-5-8-16-6-3-2-4-7-16)29-21(28)19(15)20(27)26-12-10-17(11-13-26)22(23,24)25/h2-4,6-7,14,17H,5,8-13H2,1H3
InChIKeyCSNPZCFQCAFCGQ-UHFFFAOYSA-N
XLogP4.54
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-phenylpropyl)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one?
The IUPAC name of 4-methyl-6-(3-phenylpropyl)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one (CID 170506788) is 4-methyl-6-(3-phenylpropyl)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one.
What is the SMILES notation for 4-methyl-6-(3-phenylpropyl)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one?
The canonical SMILES for 4-methyl-6-(3-phenylpropyl)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one is Cc1cc(CCCc2ccccc2)oc(=O)c1C(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-6-(3-phenylpropyl)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one?
The InChIKey is CSNPZCFQCAFCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO3/c1-15-14-18(9-5-8-16-6-3-2-4-7-16)29-21(28)19(15)20(27)26-12-10-17(11-13-26)22(23,24)25/h2-4,6-7,14,17H,5,8-13H2,1H3.
What are the key properties of 4-methyl-6-(3-phenylpropyl)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one?
4-methyl-6-(3-phenylpropyl)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one has a molecular weight of 407.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-phenylpropyl)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyran-2-one is sourced from PubChem (CID 170506788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).