1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide

C21H28N4O3 — CID 91955824

IUPAC1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H28N4O3/c26-20-7-6-19(21(27)22-8-3-9-24-10-12-28-13-11-24)25(20)15-16-14-23-18-5-2-1-4-17(16)18/h1-2,4-5,14,19,23H,3,6-13,15H2,(H,22,27)
InChIKeyGEEAWSPKOJFDOW-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.50
Rot. Bonds7

About 1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide

1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 91955824) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID91955824
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H28N4O3/c26-20-7-6-19(21(27)22-8-3-9-24-10-12-28-13-11-24)25(20)15-16-14-23-18-5-2-1-4-17(16)18/h1-2,4-5,14,19,23H,3,6-13,15H2,(H,22,27)
InChIKeyGEEAWSPKOJFDOW-UHFFFAOYSA-N
XLogP1.50
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indol-3-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955773
N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955745
N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955799
N-[3-(2-fluorophenyl)propyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91954585
1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide
CID 91957713
(2S)-1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 92696544
N-[3-(3-fluorophenyl)propyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91954637
1-(1H-indol-3-ylmethyl)-N-[3-(4-methylindazol-1-yl)propyl]-5-oxopyrrolidine-2-carboxamide
CID 91955643
1-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 91955471
N'-[2-(1H-indol-3-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902823
N-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955675
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955596

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide (CID 91955824) is 1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide is O=C(NCCCN1CCOCC1)C1CCC(=O)N1Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is GEEAWSPKOJFDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-20-7-6-19(21(27)22-8-3-9-24-10-12-28-13-11-24)25(20)15-16-14-23-18-5-2-1-4-17(16)18/h1-2,4-5,14,19,23H,3,6-13,15H2,(H,22,27).
What are the key properties of 1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 91955824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).