(4-phenylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone

C25H27F3N2O2 — CID 39581222

IUPAC(4-phenylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C25H27F3N2O2/c26-25(27,28)22-8-6-20(7-9-22)23(31)30-16-12-21(13-17-30)24(32)29-14-10-19(11-15-29)18-4-2-1-3-5-18/h1-9,19,21H,10-17H2
InChIKeySELYDQTXEQGWAO-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.96
Rot. Bonds3

About (4-phenylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone

(4-phenylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone (PubChem CID 39581222) has the molecular formula C25H27F3N2O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is (4-phenylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-phenylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
PubChem CID39581222
Molecular FormulaC25H27F3N2O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC Name(4-phenylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C25H27F3N2O2/c26-25(27,28)22-8-6-20(7-9-22)23(31)30-16-12-21(13-17-30)24(32)29-14-10-19(11-15-29)18-4-2-1-3-5-18/h1-9,19,21H,10-17H2
InChIKeySELYDQTXEQGWAO-UHFFFAOYSA-N
XLogP4.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The IUPAC name of (4-phenylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone (CID 39581222) is (4-phenylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-phenylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-phenylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of (4-phenylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The InChIKey is SELYDQTXEQGWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N2O2/c26-25(27,28)22-8-6-20(7-9-22)23(31)30-16-12-21(13-17-30)24(32)29-14-10-19(11-15-29)18-4-2-1-3-5-18/h1-9,19,21H,10-17H2.
What are the key properties of (4-phenylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
(4-phenylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone has a molecular weight of 444.50 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone is sourced from PubChem (CID 39581222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).