5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

C25H31N3O5 — CID 45231104

IUPAC5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccccc2)(C2CCN(C(=O)C3CC(=O)OC34CCCCC4)CC2)N1
InChIInChI=1S/C25H31N3O5/c29-20-15-19(24(33-20)11-5-2-6-12-24)21(30)28-13-9-18(10-14-28)25(22(31)26-23(32)27-25)16-17-7-3-1-4-8-17/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H2,26,27,31,32)
InChIKeyKXTDSOTXLKJASR-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.31
Rot. Bonds4

About 5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45231104) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is 5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45231104
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC Name5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccccc2)(C2CCN(C(=O)C3CC(=O)OC34CCCCC4)CC2)N1
InChIInChI=1S/C25H31N3O5/c29-20-15-19(24(33-20)11-5-2-6-12-24)21(30)28-13-9-18(10-14-28)25(22(31)26-23(32)27-25)16-17-7-3-1-4-8-17/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H2,26,27,31,32)
InChIKeyKXTDSOTXLKJASR-UHFFFAOYSA-N
XLogP2.31
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 138380754
1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 131923016
4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 70732695
4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 118784215
5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45190692
4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 131941434
5-[(2-chlorophenyl)methyl]-5-[1-(2-cyclopropylacetyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 56854186
4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 74249533
N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 3077984
5-benzyl-5-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45251029
4-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 135100856
4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 118788436

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 45231104) is 5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccccc2)(C2CCN(C(=O)C3CC(=O)OC34CCCCC4)CC2)N1.
What is the InChIKey of 5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is KXTDSOTXLKJASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c29-20-15-19(24(33-20)11-5-2-6-12-24)21(30)28-13-9-18(10-14-28)25(22(31)26-23(32)27-25)16-17-7-3-1-4-8-17/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H2,26,27,31,32).
What are the key properties of 5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 453.54 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45231104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).