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

C23H32N4O4 — CID 9415287

IUPAC(5R,6R)-3-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCOc1ccccc1N1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1
InChIInChI=1S/C23H32N4O4/c1-3-31-19-10-5-4-9-18(19)25-12-14-26(15-13-25)20(28)16-27-21(29)23(24-22(27)30)11-7-6-8-17(23)2/h4-5,9-10,17H,3,6-8,11-16H2,1-2H3,(H,24,30)/t17-,23-/m1/s1
InChIKeyZAZVKLXUQOQUQD-UZUQRXQVSA-N
MW428.53 g/mol
LogP2.23
Rot. Bonds5

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

(5R,6R)-3-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 9415287) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is (5R,6R)-3-[2-[4-(2-ethoxyphenyl)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-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID9415287
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name(5R,6R)-3-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCOc1ccccc1N1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1
InChIInChI=1S/C23H32N4O4/c1-3-31-19-10-5-4-9-18(19)25-12-14-26(15-13-25)20(28)16-27-21(29)23(24-22(27)30)11-7-6-8-17(23)2/h4-5,9-10,17H,3,6-8,11-16H2,1-2H3,(H,24,30)/t17-,23-/m1/s1
InChIKeyZAZVKLXUQOQUQD-UZUQRXQVSA-N
XLogP2.23
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.23
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

(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
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55861144
(5S,6R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9146026
(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
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-(4,4-diethylpiperidin-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 86817043
(5S,6S)-6-methyl-3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94205648
(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
N-[2-(azepan-1-yl)phenyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 30656543
(5R,6R)-3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9298092
(5R,6S)-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51884022

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-3-[2-[4-(2-ethoxyphenyl)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-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 9415287) is (5R,6R)-3-[2-[4-(2-ethoxyphenyl)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-(2-ethoxyphenyl)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-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CCOc1ccccc1N1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1.
What is the InChIKey of (5R,6R)-3-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZAZVKLXUQOQUQD-UZUQRXQVSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-3-31-19-10-5-4-9-18(19)25-12-14-26(15-13-25)20(28)16-27-21(29)23(24-22(27)30)11-7-6-8-17(23)2/h4-5,9-10,17H,3,6-8,11-16H2,1-2H3,(H,24,30)/t17-,23-/m1/s1.
What are the key properties of (5R,6R)-3-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5R,6R)-3-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 428.53 g/mol, XLogP of 2.23, 5 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-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 9415287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).