N-cyclopentyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide

C22H30FN3O2 — CID 155539433

IUPACN-cyclopentyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide
SMILESCc1c(CCN2CCOCC2)c2cc(F)ccc2n1CC(=O)NC1CCCC1
InChIInChI=1S/C22H30FN3O2/c1-16-19(8-9-25-10-12-28-13-11-25)20-14-17(23)6-7-21(20)26(16)15-22(27)24-18-4-2-3-5-18/h6-7,14,18H,2-5,8-13,15H2,1H3,(H,24,27)
InChIKeyIHEUZGPYNIPOHV-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.02
Rot. Bonds6

About N-cyclopentyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide

N-cyclopentyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide (PubChem CID 155539433) has the molecular formula C22H30FN3O2 and a molecular weight of 387.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide
PubChem CID155539433
Molecular FormulaC22H30FN3O2
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC NameN-cyclopentyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide
SMILESCc1c(CCN2CCOCC2)c2cc(F)ccc2n1CC(=O)NC1CCCC1
InChIInChI=1S/C22H30FN3O2/c1-16-19(8-9-25-10-12-28-13-11-25)20-14-17(23)6-7-21(20)26(16)15-22(27)24-18-4-2-3-5-18/h6-7,14,18H,2-5,8-13,15H2,1H3,(H,24,27)
InChIKeyIHEUZGPYNIPOHV-UHFFFAOYSA-N
XLogP3.02
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-cyclopentyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide (CID 155539433) is N-cyclopentyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide is Cc1c(CCN2CCOCC2)c2cc(F)ccc2n1CC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide?
The InChIKey is IHEUZGPYNIPOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O2/c1-16-19(8-9-25-10-12-28-13-11-25)20-14-17(23)6-7-21(20)26(16)15-22(27)24-18-4-2-3-5-18/h6-7,14,18H,2-5,8-13,15H2,1H3,(H,24,27).
What are the key properties of N-cyclopentyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide?
N-cyclopentyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide has a molecular weight of 387.50 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide is sourced from PubChem (CID 155539433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).