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

C19H32N4O3 — CID 92620670

IUPAC3-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(C(C)C)CC3)C2=O)C1
InChIInChI=1S/C19H32N4O3/c1-13(2)16(24)22-9-5-6-15(12-22)23-17(25)19(20-18(23)26)7-10-21(11-8-19)14(3)4/h13-15H,5-12H2,1-4H3,(H,20,26)/t15-/m0/s1
InChIKeyHYNPZMGRSFGIGG-HNNXBMFYSA-N
MW364.49 g/mol
LogP1.43
Rot. Bonds3

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

3-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 92620670) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID92620670
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name3-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(C(C)C)CC3)C2=O)C1
InChIInChI=1S/C19H32N4O3/c1-13(2)16(24)22-9-5-6-15(12-22)23-17(25)19(20-18(23)26)7-10-21(11-8-19)14(3)4/h13-15H,5-12H2,1-4H3,(H,20,26)/t15-/m0/s1
InChIKeyHYNPZMGRSFGIGG-HNNXBMFYSA-N
XLogP1.43
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.43
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-[1-(2-methylpropanoyl)piperidin-3-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084347
3-(1-benzoylpiperidin-3-yl)-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110247352
3-[(3R)-1-(3-cyclopentylpropanoyl)piperidin-3-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620556
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
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084433
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-8-(2-methylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620502
3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-8-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084320
8-(2-methylpropyl)-3-[1-(oxolane-2-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084428
3-[1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084372
8-(2-methylpropanoyl)-3-[1-(2-phenylacetyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620525
8-propyl-3-[1-(pyridine-4-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084359

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 92620670) is 3-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)C(=O)N1CCC[C@H](N2C(=O)NC3(CCN(C(C)C)CC3)C2=O)C1.
What is the InChIKey of 3-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is HYNPZMGRSFGIGG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-13(2)16(24)22-9-5-6-15(12-22)23-17(25)19(20-18(23)26)7-10-21(11-8-19)14(3)4/h13-15H,5-12H2,1-4H3,(H,20,26)/t15-/m0/s1.
What are the key properties of 3-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 364.49 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 92620670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).