N-(2-morpholin-4-ium-4-ylethyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide

C23H31N4O4+ — CID 7162401

IUPACN-(2-morpholin-4-ium-4-ylethyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
SMILESO=C(NCC[NH+]1CCOCC1)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C23H30N4O4/c28-21(26-9-4-1-5-10-26)17-27-16-19(18-6-2-3-7-20(18)27)22(29)23(30)24-8-11-25-12-14-31-15-13-25/h2-3,6-7,16H,1,4-5,8-15,17H2,(H,24,30)/p+1
InChIKeyRBOTXTDTXPWFRH-UHFFFAOYSA-O
MW427.53 g/mol
LogP-0.13
Rot. Bonds7

About N-(2-morpholin-4-ium-4-ylethyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide

N-(2-morpholin-4-ium-4-ylethyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide (PubChem CID 7162401) has the molecular formula C23H31N4O4+ and a molecular weight of 427.53 g/mol. Its IUPAC name is N-(2-morpholin-4-ium-4-ylethyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ium-4-ylethyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
PubChem CID7162401
Molecular FormulaC23H31N4O4+
Molecular Weight427.53 g/mol
Exact Mass427.23
IUPAC NameN-(2-morpholin-4-ium-4-ylethyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
SMILESO=C(NCC[NH+]1CCOCC1)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C23H30N4O4/c28-21(26-9-4-1-5-10-26)17-27-16-19(18-6-2-3-7-20(18)27)22(29)23(30)24-8-11-25-12-14-31-15-13-25/h2-3,6-7,16H,1,4-5,8-15,17H2,(H,24,30)/p+1
InChIKeyRBOTXTDTXPWFRH-UHFFFAOYSA-O
XLogP-0.13
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-diphenylpropyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 16808104
N-[2-(diethylamino)ethyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162352
diethyl-[2-[[2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetyl]amino]ethyl]azanium
CID 7162351
N-[3-(diethylamino)propyl]-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
CID 7162399
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide
CID 18562402
2-oxo-N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 16808099
N-(3-ethoxypropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162350
ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate
CID 7162391
N-[3-(dipropylamino)propyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 41429586
N-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 40506618
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(thiophen-2-ylmethyl)acetamide
CID 4278105
N-[3-[benzyl(methyl)amino]propyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 30288578

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?
The IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide (CID 7162401) is N-(2-morpholin-4-ium-4-ylethyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-(2-morpholin-4-ium-4-ylethyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?
The canonical SMILES for N-(2-morpholin-4-ium-4-ylethyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide is O=C(NCC[NH+]1CCOCC1)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12.
What is the InChIKey of N-(2-morpholin-4-ium-4-ylethyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?
The InChIKey is RBOTXTDTXPWFRH-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H30N4O4/c28-21(26-9-4-1-5-10-26)17-27-16-19(18-6-2-3-7-20(18)27)22(29)23(30)24-8-11-25-12-14-31-15-13-25/h2-3,6-7,16H,1,4-5,8-15,17H2,(H,24,30)/p+1.
What are the key properties of N-(2-morpholin-4-ium-4-ylethyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?
N-(2-morpholin-4-ium-4-ylethyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide has a molecular weight of 427.53 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ium-4-ylethyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide is sourced from PubChem (CID 7162401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).