N-benzyl-N-butyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide

C28H33N3O3 — CID 41429622

IUPACN-benzyl-N-butyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
SMILESCCCCN(Cc1ccccc1)C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C28H33N3O3/c1-2-3-16-30(19-22-12-6-4-7-13-22)28(34)27(33)24-20-31(25-15-9-8-14-23(24)25)21-26(32)29-17-10-5-11-18-29/h4,6-9,12-15,20H,2-3,5,10-11,16-19,21H2,1H3
InChIKeyAIXVDBXXFLKVRT-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.67
Rot. Bonds9

About N-benzyl-N-butyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide

N-benzyl-N-butyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide (PubChem CID 41429622) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-benzyl-N-butyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-butyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
PubChem CID41429622
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC NameN-benzyl-N-butyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
SMILESCCCCN(Cc1ccccc1)C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C28H33N3O3/c1-2-3-16-30(19-22-12-6-4-7-13-22)28(34)27(33)24-20-31(25-15-9-8-14-23(24)25)21-26(32)29-17-10-5-11-18-29/h4,6-9,12-15,20H,2-3,5,10-11,16-19,21H2,1H3
InChIKeyAIXVDBXXFLKVRT-UHFFFAOYSA-N
XLogP4.67
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N-dibutyl-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 40506563
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-benzyl-N-ethyl-2-oxoacetamide
CID 41429642
N,N-diethyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7066716
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 43957368
N,N-bis(2-methoxyethyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 40506565
1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868
N-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7162399
N-[3-(dipropylamino)propyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 41429586
N-[3-[benzyl(methyl)amino]propyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 30288578
ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate
CID 7162391
2,2-dimethyl-1-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]propan-1-one
CID 1095445
1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
CID 18562371

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?
The IUPAC name of N-benzyl-N-butyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide (CID 41429622) is N-benzyl-N-butyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-benzyl-N-butyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?
The canonical SMILES for N-benzyl-N-butyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide is CCCCN(Cc1ccccc1)C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12.
What is the InChIKey of N-benzyl-N-butyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?
The InChIKey is AIXVDBXXFLKVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-2-3-16-30(19-22-12-6-4-7-13-22)28(34)27(33)24-20-31(25-15-9-8-14-23(24)25)21-26(32)29-17-10-5-11-18-29/h4,6-9,12-15,20H,2-3,5,10-11,16-19,21H2,1H3.
What are the key properties of N-benzyl-N-butyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?
N-benzyl-N-butyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide has a molecular weight of 459.59 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide is sourced from PubChem (CID 41429622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).