[(1R)-2-oxo-1-phenyl-2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl] acetate

C25H28N2O4S — CID 74224421

IUPAC[(1R)-2-oxo-1-phenyl-2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl] acetate
SMILESCC(=O)O[C@@H](C(=O)N1CCC2(CCN(C(=O)/C=C/c3ccsc3)CC2)C1)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-19(28)31-23(21-5-3-2-4-6-21)24(30)27-15-12-25(18-27)10-13-26(14-11-25)22(29)8-7-20-9-16-32-17-20/h2-9,16-17,23H,10-15,18H2,1H3/b8-7+/t23-/m1/s1
InChIKeyMKDPDPTWNDWKTO-NDEDVSTASA-N
MW452.58 g/mol
LogP3.91
Rot. Bonds5

About [(1R)-2-oxo-1-phenyl-2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl] acetate

[(1R)-2-oxo-1-phenyl-2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl] acetate (PubChem CID 74224421) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is [(1R)-2-oxo-1-phenyl-2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl] acetate.

Molecular Properties

Compound Name[(1R)-2-oxo-1-phenyl-2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl] acetate
PubChem CID74224421
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name[(1R)-2-oxo-1-phenyl-2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl] acetate
SMILESCC(=O)O[C@@H](C(=O)N1CCC2(CCN(C(=O)/C=C/c3ccsc3)CC2)C1)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-19(28)31-23(21-5-3-2-4-6-21)24(30)27-15-12-25(18-27)10-13-26(14-11-25)22(29)8-7-20-9-16-32-17-20/h2-9,16-17,23H,10-15,18H2,1H3/b8-7+/t23-/m1/s1
InChIKeyMKDPDPTWNDWKTO-NDEDVSTASA-N
XLogP3.91
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(1R)-2-oxo-1-phenyl-2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl] acetate 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

2,2,2-trifluoro-N-[(1S)-2-oxo-1-phenyl-2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl]acetamide
CID 74228192
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7715959
[(1R)-2-[8-(5-acetylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxo-1-phenylethyl] acetate
CID 74227486
[2-[8-(5-acetylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxo-1-phenylethyl] acetate
CID 3777695
2-(2-chlorophenoxy)-2-methyl-1-[8-(3-thiophen-3-ylprop-2-enoyl)-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 3727010
1-[2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one
CID 3320926
N-[(1R,2S)-2-phenylcyclopropyl]-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 74227488
1-[2-(3-benzoylpyridine-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one
CID 3447081
1-[2-(4-methylthiadiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one
CID 3871671
1-phenyl-4-[8-(3-thiophen-3-ylprop-2-enoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrrolidin-2-one
CID 3835086
1-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one
CID 4993671
1-[2-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one
CID 4984414

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1-phenyl-2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl] acetate?
The IUPAC name of [(1R)-2-oxo-1-phenyl-2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl] acetate (CID 74224421) is [(1R)-2-oxo-1-phenyl-2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl] acetate.
What is the SMILES notation for [(1R)-2-oxo-1-phenyl-2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl] acetate?
The canonical SMILES for [(1R)-2-oxo-1-phenyl-2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl] acetate is CC(=O)O[C@@H](C(=O)N1CCC2(CCN(C(=O)/C=C/c3ccsc3)CC2)C1)c1ccccc1.
What is the InChIKey of [(1R)-2-oxo-1-phenyl-2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl] acetate?
The InChIKey is MKDPDPTWNDWKTO-NDEDVSTASA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-19(28)31-23(21-5-3-2-4-6-21)24(30)27-15-12-25(18-27)10-13-26(14-11-25)22(29)8-7-20-9-16-32-17-20/h2-9,16-17,23H,10-15,18H2,1H3/b8-7+/t23-/m1/s1.
What are the key properties of [(1R)-2-oxo-1-phenyl-2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl] acetate?
[(1R)-2-oxo-1-phenyl-2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl] acetate has a molecular weight of 452.58 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxo-1-phenyl-2-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decan-2-yl]ethyl] acetate is sourced from PubChem (CID 74224421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).