(5R,6R)-3-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C23H30N4O5 — CID 30806550

IUPAC(5R,6R)-3-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)CC2)cc1
InChIInChI=1S/C23H30N4O5/c1-16-5-3-4-10-23(16)21(30)27(22(31)24-23)15-19(28)25-11-13-26(14-12-25)20(29)17-6-8-18(32-2)9-7-17/h6-9,16H,3-5,10-15H2,1-2H3,(H,24,31)/t16-,23-/m1/s1
InChIKeyMRGVRJFKVOQKTP-WAIKUNEKSA-N
MW442.52 g/mol
LogP1.48
Rot. Bonds4

About (5R,6R)-3-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

(5R,6R)-3-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 30806550) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is (5R,6R)-3-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5R,6R)-3-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID30806550
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC Name(5R,6R)-3-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)CC2)cc1
InChIInChI=1S/C23H30N4O5/c1-16-5-3-4-10-23(16)21(30)27(22(31)24-23)15-19(28)25-11-13-26(14-12-25)20(29)17-6-8-18(32-2)9-7-17/h6-9,16H,3-5,10-15H2,1-2H3,(H,24,31)/t16-,23-/m1/s1
InChIKeyMRGVRJFKVOQKTP-WAIKUNEKSA-N
XLogP1.48
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 ≤ 51.48
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-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55517784
3-[2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46669646
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955679
(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
N-[(4-methoxyphenyl)methyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2490547
(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
(5S,6S)-6-methyl-3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94205648
(5S,6R)-3-[2-(3-methoxyphenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40791004
(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
6-methyl-3-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43062417
N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3279586

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-3-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (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) is (5R,6R)-3-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5R,6R)-3-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5R,6R)-3-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is COc1ccc(C(=O)N2CCN(C(=O)CN3C(=O)N[C@@]4(CCCC[C@H]4C)C3=O)CC2)cc1.
What is the InChIKey of (5R,6R)-3-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is MRGVRJFKVOQKTP-WAIKUNEKSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-16-5-3-4-10-23(16)21(30)27(22(31)24-23)15-19(28)25-11-13-26(14-12-25)20(29)17-6-8-18(32-2)9-7-17/h6-9,16H,3-5,10-15H2,1-2H3,(H,24,31)/t16-,23-/m1/s1.
What are the key properties of (5R,6R)-3-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5R,6R)-3-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 442.52 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-3-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 30806550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).