8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C22H30N4O4 — CID 110084314

IUPAC8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1CCC2(CC1)NC(=O)N(C1CCCN(C(=O)c3cccc(OC)c3)C1)C2=O
InChIInChI=1S/C22H30N4O4/c1-3-24-12-9-22(10-13-24)20(28)26(21(29)23-22)17-7-5-11-25(15-17)19(27)16-6-4-8-18(14-16)30-2/h4,6,8,14,17H,3,5,7,9-13,15H2,1-2H3,(H,23,29)
InChIKeyXZTPPYBYLNTFTD-UHFFFAOYSA-N
MW414.51 g/mol
LogP1.71
Rot. Bonds4

About 8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110084314) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110084314
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1CCC2(CC1)NC(=O)N(C1CCCN(C(=O)c3cccc(OC)c3)C1)C2=O
InChIInChI=1S/C22H30N4O4/c1-3-24-12-9-22(10-13-24)20(28)26(21(29)23-22)17-7-5-11-25(15-17)19(27)16-6-4-8-18(14-16)30-2/h4,6,8,14,17H,3,5,7,9-13,15H2,1-2H3,(H,23,29)
InChIKeyXZTPPYBYLNTFTD-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110085132
3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110075843
8-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084338
3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-8-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084320
8-propyl-3-[1-(pyridine-4-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084359
3-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620597
3-(1-benzoylpiperidin-3-yl)-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110247352
3-[1-(2-phenoxyacetyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110247372
3-[(3R)-1-(2-phenoxyacetyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620594
8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27421170
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
(3-bromopiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 80660380

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110084314) is 8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1CCC2(CC1)NC(=O)N(C1CCCN(C(=O)c3cccc(OC)c3)C1)C2=O.
What is the InChIKey of 8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is XZTPPYBYLNTFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-3-24-12-9-22(10-13-24)20(28)26(21(29)23-22)17-7-5-11-25(15-17)19(27)16-6-4-8-18(14-16)30-2/h4,6,8,14,17H,3,5,7,9-13,15H2,1-2H3,(H,23,29).
What are the key properties of 8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 414.51 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110084314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).