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

C25H43N5O4 — CID 43020073

IUPACN-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
SMILESCCCCNC(=O)CN1CCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)CC1
InChIInChI=1S/C25H43N5O4/c1-5-7-12-26-20(31)17-28-13-15-29(16-14-28)21(32)18-30-22(33)25(27-23(30)34)10-8-19(9-11-25)24(3,4)6-2/h19H,5-18H2,1-4H3,(H,26,31)(H,27,34)
InChIKeyZVRZXQIDAONJSV-UHFFFAOYSA-N
MW477.65 g/mol
LogP1.96
Rot. Bonds9

About 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

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 (PubChem CID 43020073) has the molecular formula C25H43N5O4 and a molecular weight of 477.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID43020073
Molecular FormulaC25H43N5O4
Molecular Weight477.65 g/mol
Exact Mass477.33
IUPAC NameN-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
SMILESCCCCNC(=O)CN1CCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)CC1
InChIInChI=1S/C25H43N5O4/c1-5-7-12-26-20(31)17-28-13-15-29(16-14-28)21(32)18-30-22(33)25(27-23(30)34)10-8-19(9-11-25)24(3,4)6-2/h19H,5-18H2,1-4H3,(H,26,31)(H,27,34)
InChIKeyZVRZXQIDAONJSV-UHFFFAOYSA-N
XLogP1.96
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 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-(2-aminoethyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide;hydrochloride
CID 119383121
2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 55384198
N-[2-(methylamino)propyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 120829700
N-butan-2-yl-2-[4-[[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]piperazin-1-yl]acetamide
CID 71685171
3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119489483
3-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119484507
N-(3-amino-2-methylpropyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 119996220
2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119461326
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 31441330
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51909360
3-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119539662
1-[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 31732135

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCNC(=O)CN1CCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)CC1.
What is the InChIKey of 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?
The InChIKey is ZVRZXQIDAONJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N5O4/c1-5-7-12-26-20(31)17-28-13-15-29(16-14-28)21(32)18-30-22(33)25(27-23(30)34)10-8-19(9-11-25)24(3,4)6-2/h19H,5-18H2,1-4H3,(H,26,31)(H,27,34).
What are the key properties of 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?
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 has a molecular weight of 477.65 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 43020073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).