N-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide

C18H21F4N3O2 — CID 167467458

IUPACN-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c[nH]c2ccc(OCC(F)(F)CN3CCC(F)(F)CC3)cc12
InChIInChI=1S/C18H21F4N3O2/c1-12(26)24-16-9-23-15-3-2-13(8-14(15)16)27-11-18(21,22)10-25-6-4-17(19,20)5-7-25/h2-3,8-9,23H,4-7,10-11H2,1H3,(H,24,26)
InChIKeyMQLBDWMCQJDLBF-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.87
Rot. Bonds6

About N-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide

N-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide (PubChem CID 167467458) has the molecular formula C18H21F4N3O2 and a molecular weight of 387.38 g/mol. Its IUPAC name is N-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide
PubChem CID167467458
Molecular FormulaC18H21F4N3O2
Molecular Weight387.38 g/mol
Exact Mass387.16
IUPAC NameN-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c[nH]c2ccc(OCC(F)(F)CN3CCC(F)(F)CC3)cc12
InChIInChI=1S/C18H21F4N3O2/c1-12(26)24-16-9-23-15-3-2-13(8-14(15)16)27-11-18(21,22)10-25-6-4-17(19,20)5-7-25/h2-3,8-9,23H,4-7,10-11H2,1H3,(H,24,26)
InChIKeyMQLBDWMCQJDLBF-UHFFFAOYSA-N
XLogP3.87
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide?
The IUPAC name of N-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide (CID 167467458) is N-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide?
The canonical SMILES for N-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide is CC(=O)Nc1c[nH]c2ccc(OCC(F)(F)CN3CCC(F)(F)CC3)cc12.
What is the InChIKey of N-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide?
The InChIKey is MQLBDWMCQJDLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F4N3O2/c1-12(26)24-16-9-23-15-3-2-13(8-14(15)16)27-11-18(21,22)10-25-6-4-17(19,20)5-7-25/h2-3,8-9,23H,4-7,10-11H2,1H3,(H,24,26).
What are the key properties of N-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide?
N-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide has a molecular weight of 387.38 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(4,4-difluoropiperidin-1-yl)-2,2-difluoropropoxy]-1H-indol-3-yl]acetamide is sourced from PubChem (CID 167467458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).