3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C19H24N4O4S — CID 8522790

IUPAC3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H24N4O4S/c24-15(13-23-17(26)19(20-18(23)27)6-2-1-3-7-19)21-8-10-22(11-9-21)16(25)14-5-4-12-28-14/h4-5,12H,1-3,6-11,13H2,(H,20,27)
InChIKeyQCHHOHGWIDGTEJ-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.29
Rot. Bonds3

About 3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 8522790) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID8522790
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H24N4O4S/c24-15(13-23-17(26)19(20-18(23)27)6-2-1-3-7-19)21-8-10-22(11-9-21)16(25)14-5-4-12-28-14/h4-5,12H,1-3,6-11,13H2,(H,20,27)
InChIKeyQCHHOHGWIDGTEJ-UHFFFAOYSA-N
XLogP1.29
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 8522790) is 3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C(CN1C(=O)NC2(CCCCC2)C1=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is QCHHOHGWIDGTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c24-15(13-23-17(26)19(20-18(23)27)6-2-1-3-7-19)21-8-10-22(11-9-21)16(25)14-5-4-12-28-14/h4-5,12H,1-3,6-11,13H2,(H,20,27).
What are the key properties of 3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 404.49 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 8522790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).