2-(2,7-dimethyl-1H-indol-3-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide

C30H31N3O3 — CID 58711792

IUPAC2-(2,7-dimethyl-1H-indol-3-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide
SMILESCc1[nH]c2c(C)cccc2c1CC(=O)Nc1cccc(-c2ccc3c(c2)COC2(CCNCC2)O3)c1
InChIInChI=1S/C30H31N3O3/c1-19-5-3-8-25-26(20(2)32-29(19)25)17-28(34)33-24-7-4-6-21(16-24)22-9-10-27-23(15-22)18-35-30(36-27)11-13-31-14-12-30/h3-10,15-16,31-32H,11-14,17-18H2,1-2H3,(H,33,34)
InChIKeyNNEKVUYDAASNLS-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.62
Rot. Bonds4

About 2-(2,7-dimethyl-1H-indol-3-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide

2-(2,7-dimethyl-1H-indol-3-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide (PubChem CID 58711792) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is 2-(2,7-dimethyl-1H-indol-3-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,7-dimethyl-1H-indol-3-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide
PubChem CID58711792
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC Name2-(2,7-dimethyl-1H-indol-3-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide
SMILESCc1[nH]c2c(C)cccc2c1CC(=O)Nc1cccc(-c2ccc3c(c2)COC2(CCNCC2)O3)c1
InChIInChI=1S/C30H31N3O3/c1-19-5-3-8-25-26(20(2)32-29(19)25)17-28(34)33-24-7-4-6-21(16-24)22-9-10-27-23(15-22)18-35-30(36-27)11-13-31-14-12-30/h3-10,15-16,31-32H,11-14,17-18H2,1-2H3,(H,33,34)
InChIKeyNNEKVUYDAASNLS-UHFFFAOYSA-N
XLogP5.62
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylbenzimidazol-1-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide
CID 11503708
tert-butyl 6-[3-(2-anilino-2-oxoethoxy)phenyl]spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
CID 58711769
N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31856117
6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 11368068
1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 82278474
N-[3-(4-aminooxan-4-yl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 167785543
1-[6-(4-hydroxyphenyl)spiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl]ethanone
CID 126473308
ethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
CID 135125393
N-(3-bromophenyl)-2-(5-chloro-2-methyl-1H-indol-3-yl)acetamide
CID 113212058
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide
CID 113212201
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 70759934
N-[3-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-phenylacetamide
CID 2993583

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethyl-1H-indol-3-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide?
The IUPAC name of 2-(2,7-dimethyl-1H-indol-3-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide (CID 58711792) is 2-(2,7-dimethyl-1H-indol-3-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,7-dimethyl-1H-indol-3-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide?
The canonical SMILES for 2-(2,7-dimethyl-1H-indol-3-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide is Cc1[nH]c2c(C)cccc2c1CC(=O)Nc1cccc(-c2ccc3c(c2)COC2(CCNCC2)O3)c1.
What is the InChIKey of 2-(2,7-dimethyl-1H-indol-3-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide?
The InChIKey is NNEKVUYDAASNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-19-5-3-8-25-26(20(2)32-29(19)25)17-28(34)33-24-7-4-6-21(16-24)22-9-10-27-23(15-22)18-35-30(36-27)11-13-31-14-12-30/h3-10,15-16,31-32H,11-14,17-18H2,1-2H3,(H,33,34).
What are the key properties of 2-(2,7-dimethyl-1H-indol-3-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide?
2-(2,7-dimethyl-1H-indol-3-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide has a molecular weight of 481.60 g/mol, XLogP of 5.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dimethyl-1H-indol-3-yl)-N-(3-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)acetamide is sourced from PubChem (CID 58711792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).