N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide

C26H32F3N3O2 — CID 71585152

IUPACN-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
SMILESCN1CCC(N2CCC(NC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)CC2)CC1
InChIInChI=1S/C26H32F3N3O2/c1-31-14-12-23(13-15-31)32-16-10-22(11-17-32)30-25(33)20-4-2-19(3-5-20)18-34-24-8-6-21(7-9-24)26(27,28)29/h2-9,22-23H,10-18H2,1H3,(H,30,33)
InChIKeyHSZZUBRMIFJQQA-UHFFFAOYSA-N
MW475.56 g/mol
LogP4.57
Rot. Bonds6

About N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide

N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide (PubChem CID 71585152) has the molecular formula C26H32F3N3O2 and a molecular weight of 475.56 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
PubChem CID71585152
Molecular FormulaC26H32F3N3O2
Molecular Weight475.56 g/mol
Exact Mass475.24
IUPAC NameN-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
SMILESCN1CCC(N2CCC(NC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)CC2)CC1
InChIInChI=1S/C26H32F3N3O2/c1-31-14-12-23(13-15-31)32-16-10-22(11-17-32)30-25(33)20-4-2-19(3-5-20)18-34-24-8-6-21(7-9-24)26(27,28)29/h2-9,22-23H,10-18H2,1H3,(H,30,33)
InChIKeyHSZZUBRMIFJQQA-UHFFFAOYSA-N
XLogP4.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide (CID 71585152) is N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide is CN1CCC(N2CCC(NC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)CC2)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
The InChIKey is HSZZUBRMIFJQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N3O2/c1-31-14-12-23(13-15-31)32-16-10-22(11-17-32)30-25(33)20-4-2-19(3-5-20)18-34-24-8-6-21(7-9-24)26(27,28)29/h2-9,22-23H,10-18H2,1H3,(H,30,33).
What are the key properties of N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide has a molecular weight of 475.56 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide is sourced from PubChem (CID 71585152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).