2-[3-[[4-(2,6-difluorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]acetamide

C27H30F2N4O3 — CID 24889798

IUPAC2-[3-[[4-(2,6-difluorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]acetamide
SMILESNC(=O)Cn1c(C(=O)N2CCOCC2)c(CN2CCC(c3c(F)cccc3F)CC2)c2ccccc21
InChIInChI=1S/C27H30F2N4O3/c28-21-5-3-6-22(29)25(21)18-8-10-31(11-9-18)16-20-19-4-1-2-7-23(19)33(17-24(30)34)26(20)27(35)32-12-14-36-15-13-32/h1-7,18H,8-17H2,(H2,30,34)
InChIKeyXGTSSSDIRNYOGA-UHFFFAOYSA-N
MW496.56 g/mol
LogP3.26
Rot. Bonds6

About 2-[3-[[4-(2,6-difluorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]acetamide

2-[3-[[4-(2,6-difluorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]acetamide (PubChem CID 24889798) has the molecular formula C27H30F2N4O3 and a molecular weight of 496.56 g/mol. Its IUPAC name is 2-[3-[[4-(2,6-difluorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[[4-(2,6-difluorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]acetamide
PubChem CID24889798
Molecular FormulaC27H30F2N4O3
Molecular Weight496.56 g/mol
Exact Mass496.23
IUPAC Name2-[3-[[4-(2,6-difluorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]acetamide
SMILESNC(=O)Cn1c(C(=O)N2CCOCC2)c(CN2CCC(c3c(F)cccc3F)CC2)c2ccccc21
InChIInChI=1S/C27H30F2N4O3/c28-21-5-3-6-22(29)25(21)18-8-10-31(11-9-18)16-20-19-4-1-2-7-23(19)33(17-24(30)34)26(20)27(35)32-12-14-36-15-13-32/h1-7,18H,8-17H2,(H2,30,34)
InChIKeyXGTSSSDIRNYOGA-UHFFFAOYSA-N
XLogP3.26
TPSA80.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(2,6-difluorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]acetamide?
The IUPAC name of 2-[3-[[4-(2,6-difluorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]acetamide (CID 24889798) is 2-[3-[[4-(2,6-difluorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[[4-(2,6-difluorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]acetamide?
The canonical SMILES for 2-[3-[[4-(2,6-difluorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]acetamide is NC(=O)Cn1c(C(=O)N2CCOCC2)c(CN2CCC(c3c(F)cccc3F)CC2)c2ccccc21.
What is the InChIKey of 2-[3-[[4-(2,6-difluorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]acetamide?
The InChIKey is XGTSSSDIRNYOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N4O3/c28-21-5-3-6-22(29)25(21)18-8-10-31(11-9-18)16-20-19-4-1-2-7-23(19)33(17-24(30)34)26(20)27(35)32-12-14-36-15-13-32/h1-7,18H,8-17H2,(H2,30,34).
What are the key properties of 2-[3-[[4-(2,6-difluorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]acetamide?
2-[3-[[4-(2,6-difluorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]acetamide has a molecular weight of 496.56 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(2,6-difluorophenyl)piperidin-1-yl]methyl]-2-(morpholine-4-carbonyl)indol-1-yl]acetamide is sourced from PubChem (CID 24889798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).