N-(3-chlorophenyl)-3-(4-piperidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide

C24H27ClF3N3O — CID 46879386

IUPACN-(3-chlorophenyl)-3-(4-piperidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(N2CCC(N3CCCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H27ClF3N3O/c25-19-5-4-6-20(16-19)29-23(32)17-13-18(24(26,27)28)15-22(14-17)31-11-7-21(8-12-31)30-9-2-1-3-10-30/h4-6,13-16,21H,1-3,7-12H2,(H,29,32)
InChIKeyVHJVRRQOQUGEIG-UHFFFAOYSA-N
MW465.95 g/mol
LogP6.07
Rot. Bonds4

About N-(3-chlorophenyl)-3-(4-piperidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide

N-(3-chlorophenyl)-3-(4-piperidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide (PubChem CID 46879386) has the molecular formula C24H27ClF3N3O and a molecular weight of 465.95 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(4-piperidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(4-piperidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
PubChem CID46879386
Molecular FormulaC24H27ClF3N3O
Molecular Weight465.95 g/mol
Exact Mass465.18
IUPAC NameN-(3-chlorophenyl)-3-(4-piperidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(N2CCC(N3CCCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C24H27ClF3N3O/c25-19-5-4-6-20(16-19)29-23(32)17-13-18(24(26,27)28)15-22(14-17)31-11-7-21(8-12-31)30-9-2-1-3-10-30/h4-6,13-16,21H,1-3,7-12H2,(H,29,32)
InChIKeyVHJVRRQOQUGEIG-UHFFFAOYSA-N
XLogP6.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.95
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(4-piperidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-3-(4-piperidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide (CID 46879386) is N-(3-chlorophenyl)-3-(4-piperidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(4-piperidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(4-piperidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide is O=C(Nc1cccc(Cl)c1)c1cc(N2CCC(N3CCCCC3)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(4-piperidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is VHJVRRQOQUGEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF3N3O/c25-19-5-4-6-20(16-19)29-23(32)17-13-18(24(26,27)28)15-22(14-17)31-11-7-21(8-12-31)30-9-2-1-3-10-30/h4-6,13-16,21H,1-3,7-12H2,(H,29,32).
What are the key properties of N-(3-chlorophenyl)-3-(4-piperidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
N-(3-chlorophenyl)-3-(4-piperidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 465.95 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(4-piperidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 46879386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).