N-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide

C24H34N4O3 — CID 7162399

IUPACN-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
SMILESCCN(CC)CCCNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C24H34N4O3/c1-3-26(4-2)14-10-13-25-24(31)23(30)20-17-28(21-12-7-6-11-19(20)21)18-22(29)27-15-8-5-9-16-27/h6-7,11-12,17H,3-5,8-10,13-16,18H2,1-2H3,(H,25,31)
InChIKeyPVOKNFOXTIMGGY-UHFFFAOYSA-N
MW426.56 g/mol
LogP2.68
Rot. Bonds10

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

N-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide (PubChem CID 7162399) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
PubChem CID7162399
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC NameN-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
SMILESCCN(CC)CCCNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C24H34N4O3/c1-3-26(4-2)14-10-13-25-24(31)23(30)20-17-28(21-12-7-6-11-19(20)21)18-22(29)27-15-8-5-9-16-27/h6-7,11-12,17H,3-5,8-10,13-16,18H2,1-2H3,(H,25,31)
InChIKeyPVOKNFOXTIMGGY-UHFFFAOYSA-N
XLogP2.68
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dipropylamino)propyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 41429586
N-[2-(diethylamino)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162352
N-(3,3-diphenylpropyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 16808104
ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate
CID 7162391
N,N-diethyl-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7066716
N-[3-[benzyl(methyl)amino]propyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 30288578
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxoacetamide
CID 16808144
N-(2-morpholin-4-ium-4-ylethyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7162401
N-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162350
N,N-dibutyl-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 40506563
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 43957356
N-(2-ethylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 4535551

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide (CID 7162399) is N-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide is CCN(CC)CCCNC(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?
The InChIKey is PVOKNFOXTIMGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-3-26(4-2)14-10-13-25-24(31)23(30)20-17-28(21-12-7-6-11-19(20)21)18-22(29)27-15-8-5-9-16-27/h6-7,11-12,17H,3-5,8-10,13-16,18H2,1-2H3,(H,25,31).
What are the key properties of N-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?
N-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide has a molecular weight of 426.56 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide is sourced from PubChem (CID 7162399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).