3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C22H30N4O4 — CID 4880894

IUPAC3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(N2CCN(C(=O)CN3C(=O)NC4(CCCCC4C)C3=O)CC2)cc1
InChIInChI=1S/C22H30N4O4/c1-16-5-3-4-10-22(16)20(28)26(21(29)23-22)15-19(27)25-13-11-24(12-14-25)17-6-8-18(30-2)9-7-17/h6-9,16H,3-5,10-15H2,1-2H3,(H,23,29)
InChIKeyGRSWUMQOQHCWGH-UHFFFAOYSA-N
MW414.51 g/mol
LogP1.84
Rot. Bonds4

About 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 4880894) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID4880894
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(N2CCN(C(=O)CN3C(=O)NC4(CCCCC4C)C3=O)CC2)cc1
InChIInChI=1S/C22H30N4O4/c1-16-5-3-4-10-22(16)20(28)26(21(29)23-22)15-19(27)25-13-11-24(12-14-25)17-6-8-18(30-2)9-7-17/h6-9,16H,3-5,10-15H2,1-2H3,(H,23,29)
InChIKeyGRSWUMQOQHCWGH-UHFFFAOYSA-N
XLogP1.84
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 4880894) is 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is COc1ccc(N2CCN(C(=O)CN3C(=O)NC4(CCCCC4C)C3=O)CC2)cc1.
What is the InChIKey of 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is GRSWUMQOQHCWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-16-5-3-4-10-22(16)20(28)26(21(29)23-22)15-19(27)25-13-11-24(12-14-25)17-6-8-18(30-2)9-7-17/h6-9,16H,3-5,10-15H2,1-2H3,(H,23,29).
What are the key properties of 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 414.51 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 4880894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).