N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide

C21H19F2N3O3 — CID 148799258

IUPACN-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide
SMILESO=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cccc(N2CCCCC2)c1
InChIInChI=1S/C21H19F2N3O3/c22-21(23)28-17-10-14-11-19(24-16(14)12-18(17)29-21)25-20(27)13-5-4-6-15(9-13)26-7-2-1-3-8-26/h4-6,9-10,12H,1-3,7-8,11H2,(H,24,25,27)
InChIKeyONSARIZZRUXZQW-UHFFFAOYSA-N
MW399.40 g/mol
LogP4.01
Rot. Bonds2

About N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide

N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide (PubChem CID 148799258) has the molecular formula C21H19F2N3O3 and a molecular weight of 399.40 g/mol. Its IUPAC name is N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide
PubChem CID148799258
Molecular FormulaC21H19F2N3O3
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC NameN-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide
SMILESO=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cccc(N2CCCCC2)c1
InChIInChI=1S/C21H19F2N3O3/c22-21(23)28-17-10-14-11-19(24-16(14)12-18(17)29-21)25-20(27)13-5-4-6-15(9-13)26-7-2-1-3-8-26/h4-6,9-10,12H,1-3,7-8,11H2,(H,24,25,27)
InChIKeyONSARIZZRUXZQW-UHFFFAOYSA-N
XLogP4.01
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide?
The IUPAC name of N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide (CID 148799258) is N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide.
What is the SMILES notation for N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide?
The canonical SMILES for N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide is O=C(NC1=Nc2cc3c(cc2C1)OC(F)(F)O3)c1cccc(N2CCCCC2)c1.
What is the InChIKey of N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide?
The InChIKey is ONSARIZZRUXZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3/c22-21(23)28-17-10-14-11-19(24-16(14)12-18(17)29-21)25-20(27)13-5-4-6-15(9-13)26-7-2-1-3-8-26/h4-6,9-10,12H,1-3,7-8,11H2,(H,24,25,27).
What are the key properties of N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide?
N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide has a molecular weight of 399.40 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide is sourced from PubChem (CID 148799258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).