2-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

C22H27N3O — CID 109007272

IUPAC2-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)CN3CCc4ccccc43)cc2)CC1
InChIInChI=1S/C22H27N3O/c1-17-10-13-24(14-11-17)20-8-6-19(7-9-20)23-22(26)16-25-15-12-18-4-2-3-5-21(18)25/h2-9,17H,10-16H2,1H3,(H,23,26)
InChIKeyFGXMGTHGUPEWKN-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.92
Rot. Bonds4

About 2-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

2-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (PubChem CID 109007272) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
PubChem CID109007272
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)CN3CCc4ccccc43)cc2)CC1
InChIInChI=1S/C22H27N3O/c1-17-10-13-24(14-11-17)20-8-6-19(7-9-20)23-22(26)16-25-15-12-18-4-2-3-5-21(18)25/h2-9,17H,10-16H2,1H3,(H,23,26)
InChIKeyFGXMGTHGUPEWKN-UHFFFAOYSA-N
XLogP3.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
3-(2-methyl-2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-3-oxopropanamide
CID 108956522
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 22199883
2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
CID 28866702
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 1460513
N-[4-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654347
2-(2,3-dihydroindol-1-yl)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54810668
2-(2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4784422
N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817003
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 46657943

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (CID 109007272) is 2-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is CC1CCN(c2ccc(NC(=O)CN3CCc4ccccc43)cc2)CC1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The InChIKey is FGXMGTHGUPEWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-17-10-13-24(14-11-17)20-8-6-19(7-9-20)23-22(26)16-25-15-12-18-4-2-3-5-21(18)25/h2-9,17H,10-16H2,1H3,(H,23,26).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
2-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 109007272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).