N-(3-cyanophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide

C24H25F3N4O — CID 44548368

IUPACN-(3-cyanophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2cc(N3CCC(N4CCCC4)CC3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H25F3N4O/c25-24(26,27)19-13-18(23(32)29-20-5-3-4-17(12-20)16-28)14-22(15-19)31-10-6-21(7-11-31)30-8-1-2-9-30/h3-5,12-15,21H,1-2,6-11H2,(H,29,32)
InChIKeyNHMFVDAHDXVRSK-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.89
Rot. Bonds4

About N-(3-cyanophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide

N-(3-cyanophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide (PubChem CID 44548368) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
PubChem CID44548368
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC NameN-(3-cyanophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2cc(N3CCC(N4CCCC4)CC3)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C24H25F3N4O/c25-24(26,27)19-13-18(23(32)29-20-5-3-4-17(12-20)16-28)14-22(15-19)31-10-6-21(7-11-31)30-8-1-2-9-30/h3-5,12-15,21H,1-2,6-11H2,(H,29,32)
InChIKeyNHMFVDAHDXVRSK-UHFFFAOYSA-N
XLogP4.89
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-cyanophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide (CID 44548368) is N-(3-cyanophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide is N#Cc1cccc(NC(=O)c2cc(N3CCC(N4CCCC4)CC3)cc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is NHMFVDAHDXVRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O/c25-24(26,27)19-13-18(23(32)29-20-5-3-4-17(12-20)16-28)14-22(15-19)31-10-6-21(7-11-31)30-8-1-2-9-30/h3-5,12-15,21H,1-2,6-11H2,(H,29,32).
What are the key properties of N-(3-cyanophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide?
N-(3-cyanophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 442.49 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 44548368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).