(5S,6S)-3-[2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C23H29N3O5 — CID 51930342

IUPAC(5S,6S)-3-[2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(C(=O)c3ccc(O)cc3)CC1)C2=O
InChIInChI=1S/C23H29N3O5/c1-15-4-2-3-11-23(15)21(30)26(22(31)24-23)14-19(28)25-12-9-17(10-13-25)20(29)16-5-7-18(27)8-6-16/h5-8,15,17,27H,2-4,9-14H2,1H3,(H,24,31)/t15-,23-/m0/s1
InChIKeyGGMCFKJPGQDTEQ-WNSKOXEYSA-N
MW427.50 g/mol
LogP2.31
Rot. Bonds4

About (5S,6S)-3-[2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

(5S,6S)-3-[2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 51930342) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is (5S,6S)-3-[2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S,6S)-3-[2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID51930342
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name(5S,6S)-3-[2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(C(=O)c3ccc(O)cc3)CC1)C2=O
InChIInChI=1S/C23H29N3O5/c1-15-4-2-3-11-23(15)21(30)26(22(31)24-23)14-19(28)25-12-9-17(10-13-25)20(29)16-5-7-18(27)8-6-16/h5-8,15,17,27H,2-4,9-14H2,1H3,(H,24,31)/t15-,23-/m0/s1
InChIKeyGGMCFKJPGQDTEQ-WNSKOXEYSA-N
XLogP2.31
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R,6R)-3-[2-(azocan-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8571777
(5R,6S)-3-[2-(azocan-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8571778
(5S,6S)-6-methyl-3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94205648
3-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119423708
(5R,6R)-3-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 30806550
3-[2-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 86817043
(5S,6R)-3-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 124718752
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46511012
3-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 18145950
(5S,6S)-6-methyl-3-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9292307
(5S,6R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680984
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-3-[2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S,6S)-3-[2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 51930342) is (5S,6S)-3-[2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S,6S)-3-[2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S,6S)-3-[2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC(C(=O)c3ccc(O)cc3)CC1)C2=O.
What is the InChIKey of (5S,6S)-3-[2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is GGMCFKJPGQDTEQ-WNSKOXEYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-15-4-2-3-11-23(15)21(30)26(22(31)24-23)14-19(28)25-12-9-17(10-13-25)20(29)16-5-7-18(27)8-6-16/h5-8,15,17,27H,2-4,9-14H2,1H3,(H,24,31)/t15-,23-/m0/s1.
What are the key properties of (5S,6S)-3-[2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5S,6S)-3-[2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 427.50 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-3-[2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 51930342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).