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

C23H30N4O5 — CID 92620597

IUPAC3-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccccc3OC)C1)C2=O
InChIInChI=1S/C23H30N4O5/c1-3-19(28)25-13-10-23(11-14-25)21(30)27(22(31)24-23)16-7-6-12-26(15-16)20(29)17-8-4-5-9-18(17)32-2/h4-5,8-9,16H,3,6-7,10-15H2,1-2H3,(H,24,31)/t16-/m0/s1
InChIKeyLUIHKSLAROHGIE-INIZCTEOSA-N
MW442.52 g/mol
LogP1.62
Rot. Bonds4

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

3-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 92620597) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID92620597
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC Name3-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccccc3OC)C1)C2=O
InChIInChI=1S/C23H30N4O5/c1-3-19(28)25-13-10-23(11-14-25)21(30)27(22(31)24-23)16-7-6-12-26(15-16)20(29)17-8-4-5-9-18(17)32-2/h4-5,8-9,16H,3,6-7,10-15H2,1-2H3,(H,24,31)/t16-/m0/s1
InChIKeyLUIHKSLAROHGIE-INIZCTEOSA-N
XLogP1.62
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 51.62
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-[(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
8-ethyl-3-[1-(3-methoxybenzoyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084314
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
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 115269834
8-benzoyl-3-[(3S)-1-[(1R,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 126417098
8-propyl-3-[1-(pyridine-4-carbonyl)piperidin-3-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084359
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(3-bromopiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 80660088
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
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-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 92620597) is 3-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCC(=O)N1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(=O)c3ccccc3OC)C1)C2=O.
What is the InChIKey of 3-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LUIHKSLAROHGIE-INIZCTEOSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-3-19(28)25-13-10-23(11-14-25)21(30)27(22(31)24-23)16-7-6-12-26(15-16)20(29)17-8-4-5-9-18(17)32-2/h4-5,8-9,16H,3,6-7,10-15H2,1-2H3,(H,24,31)/t16-/m0/s1.
What are the key properties of 3-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 442.52 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(2-methoxybenzoyl)piperidin-3-yl]-8-propanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 92620597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).