8-tert-butyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C25H33ClN4O4 — CID 46555321

IUPAC8-tert-butyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(C(=O)c3ccc(Cl)cc3)CC1)C2=O
InChIInChI=1S/C25H33ClN4O4/c1-24(2,3)18-8-10-25(11-9-18)22(33)30(23(34)27-25)16-20(31)28-12-14-29(15-13-28)21(32)17-4-6-19(26)7-5-17/h4-7,18H,8-16H2,1-3H3,(H,27,34)
InChIKeyQWIYLOXNYAOJCB-UHFFFAOYSA-N
MW489.02 g/mol
LogP3.15
Rot. Bonds3

About 8-tert-butyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-tert-butyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 46555321) has the molecular formula C25H33ClN4O4 and a molecular weight of 489.02 g/mol. Its IUPAC name is 8-tert-butyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-tert-butyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID46555321
Molecular FormulaC25H33ClN4O4
Molecular Weight489.02 g/mol
Exact Mass488.22
IUPAC Name8-tert-butyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(C(=O)c3ccc(Cl)cc3)CC1)C2=O
InChIInChI=1S/C25H33ClN4O4/c1-24(2,3)18-8-10-25(11-9-18)22(33)30(23(34)27-25)16-20(31)28-12-14-29(15-13-28)21(32)17-4-6-19(26)7-5-17/h4-7,18H,8-16H2,1-3H3,(H,27,34)
InChIKeyQWIYLOXNYAOJCB-UHFFFAOYSA-N
XLogP3.15
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.02
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 36855688
3-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 120820292
N-benzyl-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxamide
CID 33100935
8-tert-butyl-3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 30958872
4-chloro-N'-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]benzohydrazide
CID 46523058
1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55970040
N-(4-chlorophenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2116042
3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447
8-benzoyl-3-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278820
3-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2086674
8-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51138966
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 36715165

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-tert-butyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 46555321) is 8-tert-butyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-tert-butyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-tert-butyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(C(=O)c3ccc(Cl)cc3)CC1)C2=O.
What is the InChIKey of 8-tert-butyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is QWIYLOXNYAOJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4O4/c1-24(2,3)18-8-10-25(11-9-18)22(33)30(23(34)27-25)16-20(31)28-12-14-29(15-13-28)21(32)17-4-6-19(26)7-5-17/h4-7,18H,8-16H2,1-3H3,(H,27,34).
What are the key properties of 8-tert-butyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-tert-butyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 489.02 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 46555321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).