2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide

C24H34N4O4 — CID 55575458

IUPAC2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)C2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1
InChIInChI=1S/C24H34N4O4/c1-32-13-3-8-25-22(29)17-26-9-11-27(12-10-26)24(31)20-15-23(30)28(16-20)21-7-6-18-4-2-5-19(18)14-21/h6-7,14,20H,2-5,8-13,15-17H2,1H3,(H,25,29)
InChIKeyGTCUUYDFUBFIMN-UHFFFAOYSA-N
MW442.56 g/mol
LogP0.83
Rot. Bonds8

About 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide

2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 55575458) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID55575458
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)C2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1
InChIInChI=1S/C24H34N4O4/c1-32-13-3-8-25-22(29)17-26-9-11-27(12-10-26)24(31)20-15-23(30)28(16-20)21-7-6-18-4-2-5-19(18)14-21/h6-7,14,20H,2-5,8-13,15-17H2,1H3,(H,25,29)
InChIKeyGTCUUYDFUBFIMN-UHFFFAOYSA-N
XLogP0.83
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 55642013
2-[4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55429131
1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 42952813
2-[4-[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 42949145
N-[1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46480294
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
2-[4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-ethylacetamide
CID 86827838
N-(3-methoxypropyl)-2-[4-[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide
CID 55491808
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-2-one
CID 43058669
1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55802767
1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 46592345
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 51983166

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide (CID 55575458) is 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCN(C(=O)C2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1.
What is the InChIKey of 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is GTCUUYDFUBFIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-32-13-3-8-25-22(29)17-26-9-11-27(12-10-26)24(31)20-15-23(30)28(16-20)21-7-6-18-4-2-5-19(18)14-21/h6-7,14,20H,2-5,8-13,15-17H2,1H3,(H,25,29).
What are the key properties of 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 442.56 g/mol, XLogP of 0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 55575458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).