3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide

C24H25F6N3O — CID 44548371

IUPAC3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H25F6N3O/c25-23(26,27)17-4-3-5-19(14-17)31-22(34)16-12-18(24(28,29)30)15-21(13-16)33-10-6-20(7-11-33)32-8-1-2-9-32/h3-5,12-15,20H,1-2,6-11H2,(H,31,34)
InChIKeyXJOBUWSKCGTPQM-UHFFFAOYSA-N
MW485.47 g/mol
LogP6.04
Rot. Bonds4

About 3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide

3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 44548371) has the molecular formula C24H25F6N3O and a molecular weight of 485.47 g/mol. Its IUPAC name is 3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID44548371
Molecular FormulaC24H25F6N3O
Molecular Weight485.47 g/mol
Exact Mass485.19
IUPAC Name3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H25F6N3O/c25-23(26,27)17-4-3-5-19(14-17)31-22(34)16-12-18(24(28,29)30)15-21(13-16)33-10-6-20(7-11-33)32-8-1-2-9-32/h3-5,12-15,20H,1-2,6-11H2,(H,31,34)
InChIKeyXJOBUWSKCGTPQM-UHFFFAOYSA-N
XLogP6.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.47
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide (CID 44548371) is 3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is XJOBUWSKCGTPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F6N3O/c25-23(26,27)17-4-3-5-19(14-17)31-22(34)16-12-18(24(28,29)30)15-21(13-16)33-10-6-20(7-11-33)32-8-1-2-9-32/h3-5,12-15,20H,1-2,6-11H2,(H,31,34).
What are the key properties of 3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide?
3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 485.47 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 44548371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).