3-[(3R)-1-(3-cyclopentylpropanoyl)piperidin-3-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C24H38N4O4 — CID 92620556

IUPAC3-[(3R)-1-(3-cyclopentylpropanoyl)piperidin-3-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCC3CCCC3)C1)C2=O
InChIInChI=1S/C24H38N4O4/c1-17(2)21(30)26-14-11-24(12-15-26)22(31)28(23(32)25-24)19-8-5-13-27(16-19)20(29)10-9-18-6-3-4-7-18/h17-19H,3-16H2,1-2H3,(H,25,32)/t19-/m1/s1
InChIKeyJENONYYAWHAZIX-LJQANCHMSA-N
MW446.59 g/mol
LogP2.52
Rot. Bonds5

About 3-[(3R)-1-(3-cyclopentylpropanoyl)piperidin-3-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[(3R)-1-(3-cyclopentylpropanoyl)piperidin-3-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 92620556) has the molecular formula C24H38N4O4 and a molecular weight of 446.59 g/mol. Its IUPAC name is 3-[(3R)-1-(3-cyclopentylpropanoyl)piperidin-3-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(3R)-1-(3-cyclopentylpropanoyl)piperidin-3-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID92620556
Molecular FormulaC24H38N4O4
Molecular Weight446.59 g/mol
Exact Mass446.29
IUPAC Name3-[(3R)-1-(3-cyclopentylpropanoyl)piperidin-3-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCC3CCCC3)C1)C2=O
InChIInChI=1S/C24H38N4O4/c1-17(2)21(30)26-14-11-24(12-15-26)22(31)28(23(32)25-24)19-8-5-13-27(16-19)20(29)10-9-18-6-3-4-7-18/h17-19H,3-16H2,1-2H3,(H,25,32)/t19-/m1/s1
InChIKeyJENONYYAWHAZIX-LJQANCHMSA-N
XLogP2.52
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620670
3-(1-benzoylpiperidin-3-yl)-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110247352
3-[1-(2-methylpropanoyl)piperidin-3-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084347
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620502
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084433
3-[1-(cyclopropanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084415
8-(2-methylpropanoyl)-3-[1-[(2R)-2-pyrrolidin-1-ylpropanoyl]piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620507
8-(2-methylpropanoyl)-3-[1-(2-phenylacetyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620525
3-[(3R)-1-(2-phenoxyacetyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620594
3-[1-(2-phenoxyacetyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110247372
3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-8-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084320
3-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084372

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(3-cyclopentylpropanoyl)piperidin-3-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(3R)-1-(3-cyclopentylpropanoyl)piperidin-3-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 92620556) is 3-[(3R)-1-(3-cyclopentylpropanoyl)piperidin-3-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(3R)-1-(3-cyclopentylpropanoyl)piperidin-3-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(3R)-1-(3-cyclopentylpropanoyl)piperidin-3-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)C(=O)N1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(=O)CCC3CCCC3)C1)C2=O.
What is the InChIKey of 3-[(3R)-1-(3-cyclopentylpropanoyl)piperidin-3-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is JENONYYAWHAZIX-LJQANCHMSA-N. The full InChI is InChI=1S/C24H38N4O4/c1-17(2)21(30)26-14-11-24(12-15-26)22(31)28(23(32)25-24)19-8-5-13-27(16-19)20(29)10-9-18-6-3-4-7-18/h17-19H,3-16H2,1-2H3,(H,25,32)/t19-/m1/s1.
What are the key properties of 3-[(3R)-1-(3-cyclopentylpropanoyl)piperidin-3-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[(3R)-1-(3-cyclopentylpropanoyl)piperidin-3-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 446.59 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(3-cyclopentylpropanoyl)piperidin-3-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 92620556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).