N-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide

C25H32F3N3O2 — CID 71585155

IUPACN-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
SMILESCN(C)CCCN1CCC(NC(=O)c2ccc(COc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C25H32F3N3O2/c1-30(2)14-3-15-31-16-12-22(13-17-31)29-24(32)20-6-4-19(5-7-20)18-33-23-10-8-21(9-11-23)25(26,27)28/h4-11,22H,3,12-18H2,1-2H3,(H,29,32)
InChIKeyPDGXFDNTQWGRNH-UHFFFAOYSA-N
MW463.54 g/mol
LogP4.43
Rot. Bonds9

About N-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide

N-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide (PubChem CID 71585155) has the molecular formula C25H32F3N3O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide.

Molecular Properties

Compound NameN-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
PubChem CID71585155
Molecular FormulaC25H32F3N3O2
Molecular Weight463.54 g/mol
Exact Mass463.24
IUPAC NameN-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
SMILESCN(C)CCCN1CCC(NC(=O)c2ccc(COc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C25H32F3N3O2/c1-30(2)14-3-15-31-16-12-22(13-17-31)29-24(32)20-6-4-19(5-7-20)18-33-23-10-8-21(9-11-23)25(26,27)28/h4-11,22H,3,12-18H2,1-2H3,(H,29,32)
InChIKeyPDGXFDNTQWGRNH-UHFFFAOYSA-N
XLogP4.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
The IUPAC name of N-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide (CID 71585155) is N-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide.
What is the SMILES notation for N-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
The canonical SMILES for N-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide is CN(C)CCCN1CCC(NC(=O)c2ccc(COc3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of N-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
The InChIKey is PDGXFDNTQWGRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N3O2/c1-30(2)14-3-15-31-16-12-22(13-17-31)29-24(32)20-6-4-19(5-7-20)18-33-23-10-8-21(9-11-23)25(26,27)28/h4-11,22H,3,12-18H2,1-2H3,(H,29,32).
What are the key properties of N-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide?
N-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide has a molecular weight of 463.54 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide is sourced from PubChem (CID 71585155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).