2-[4-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide

C20H33N5O5 — CID 55429011

IUPAC2-[4-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1
InChIInChI=1S/C20H33N5O5/c1-30-14-4-8-21-16(26)15-23-10-12-24(13-11-23)17(27)5-9-25-18(28)20(22-19(25)29)6-2-3-7-20/h2-15H2,1H3,(H,21,26)(H,22,29)
InChIKeySMDJNYFRNSEMEF-UHFFFAOYSA-N
MW423.51 g/mol
LogP-0.46
Rot. Bonds9

About 2-[4-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide

2-[4-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 55429011) has the molecular formula C20H33N5O5 and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-[4-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID55429011
Molecular FormulaC20H33N5O5
Molecular Weight423.51 g/mol
Exact Mass423.25
IUPAC Name2-[4-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1
InChIInChI=1S/C20H33N5O5/c1-30-14-4-8-21-16(26)15-23-10-12-24(13-11-23)17(27)5-9-25-18(28)20(22-19(25)29)6-2-3-7-20/h2-15H2,1H3,(H,21,26)(H,22,29)
InChIKeySMDJNYFRNSEMEF-UHFFFAOYSA-N
XLogP-0.46
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide
CID 55429013
3-[4-oxo-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 55441904
3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 35809666
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55432469
4-bromo-N-[3-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 55429216
N-(3-methoxypropyl)-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 55462485
N-(2-aminoethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 82149063
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 38448455
N-butyl-2-[4-[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperazin-1-yl]acetamide
CID 43020073
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide
CID 119506024
2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide
CID 94751894
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pentylacetamide
CID 34317792

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide (CID 55429011) is 2-[4-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1.
What is the InChIKey of 2-[4-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is SMDJNYFRNSEMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O5/c1-30-14-4-8-21-16(26)15-23-10-12-24(13-11-23)17(27)5-9-25-18(28)20(22-19(25)29)6-2-3-7-20/h2-15H2,1H3,(H,21,26)(H,22,29).
What are the key properties of 2-[4-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[4-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 423.51 g/mol, XLogP of -0.46, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 55429011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).