8-(2-methylpropyl)-3-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C21H34N4O4 — CID 110084428

IUPAC8-(2-methylpropyl)-3-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1CCC2(CC1)NC(=O)N(C1CCCN(C(=O)C3CCCO3)C1)C2=O
InChIInChI=1S/C21H34N4O4/c1-15(2)13-23-10-7-21(8-11-23)19(27)25(20(28)22-21)16-5-3-9-24(14-16)18(26)17-6-4-12-29-17/h15-17H,3-14H2,1-2H3,(H,22,28)
InChIKeyGXWRWEOMZVORFZ-UHFFFAOYSA-N
MW406.53 g/mol
LogP1.20
Rot. Bonds4

About 8-(2-methylpropyl)-3-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(2-methylpropyl)-3-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110084428) has the molecular formula C21H34N4O4 and a molecular weight of 406.53 g/mol. Its IUPAC name is 8-(2-methylpropyl)-3-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2-methylpropyl)-3-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110084428
Molecular FormulaC21H34N4O4
Molecular Weight406.53 g/mol
Exact Mass406.26
IUPAC Name8-(2-methylpropyl)-3-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1CCC2(CC1)NC(=O)N(C1CCCN(C(=O)C3CCCO3)C1)C2=O
InChIInChI=1S/C21H34N4O4/c1-15(2)13-23-10-7-21(8-11-23)19(27)25(20(28)22-21)16-5-3-9-24(14-16)18(26)17-6-4-12-29-17/h15-17H,3-14H2,1-2H3,(H,22,28)
InChIKeyGXWRWEOMZVORFZ-UHFFFAOYSA-N
XLogP1.20
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 51.20
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-(cyclopropanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084415
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084433
3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-8-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084320
3-(1-benzoylpiperidin-3-yl)-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110247352
3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110075843
8-benzoyl-3-[(3S)-1-[(1R,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 126417098
3-[(3R)-1-(3-cyclopentylpropanoyl)piperidin-3-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620556
N-[2-[3-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 110084309
8-ethyl-3-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084338
8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084314
[(2R)-oxolan-2-yl]-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]methanone
CID 95349495
3-[1-(3-methoxybenzoyl)piperidin-4-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110085132

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropyl)-3-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2-methylpropyl)-3-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110084428) is 8-(2-methylpropyl)-3-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2-methylpropyl)-3-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2-methylpropyl)-3-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CN1CCC2(CC1)NC(=O)N(C1CCCN(C(=O)C3CCCO3)C1)C2=O.
What is the InChIKey of 8-(2-methylpropyl)-3-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is GXWRWEOMZVORFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O4/c1-15(2)13-23-10-7-21(8-11-23)19(27)25(20(28)22-21)16-5-3-9-24(14-16)18(26)17-6-4-12-29-17/h15-17H,3-14H2,1-2H3,(H,22,28).
What are the key properties of 8-(2-methylpropyl)-3-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2-methylpropyl)-3-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 406.53 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropyl)-3-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110084428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).