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

C20H23N3O3 — CID 2703375

IUPAC(5R,6S)-6-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C20H23N3O3/c1-12-7-5-6-10-20(12)18(25)23(19(26)22-20)11-16(24)17-13(2)21-15-9-4-3-8-14(15)17/h3-4,8-9,12,21H,5-7,10-11H2,1-2H3,(H,22,26)/t12-,20+/m0/s1
InChIKeyCMBVVHGPYQQONB-FKIZINRSSA-N
MW353.42 g/mol
LogP3.16
Rot. Bonds3

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

(5R,6S)-6-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2703375) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (5R,6S)-6-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5R,6S)-6-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2703375
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(5R,6S)-6-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C20H23N3O3/c1-12-7-5-6-10-20(12)18(25)23(19(26)22-20)11-16(24)17-13(2)21-15-9-4-3-8-14(15)17/h3-4,8-9,12,21H,5-7,10-11H2,1-2H3,(H,22,26)/t12-,20+/m0/s1
InChIKeyCMBVVHGPYQQONB-FKIZINRSSA-N
XLogP3.16
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 11919535
ethyl 2,5-dimethyl-4-[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-1H-pyrrole-3-carboxylate
CID 7181492
(5R,6S)-6-methyl-3-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41131173
(5R,6S)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31066001
(5S,6R)-3-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31066002
6-methyl-3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46691187
(5S,6R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680984
3'-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 3582932
(5R,6S)-3-[2-(4-chlorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680971
(5S,6R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2680977
(5R,6R)-3-[2-(3-bromophenyl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7181755
N-(benzylcarbamoyl)-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703371

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5R,6S)-6-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2703375) is (5R,6S)-6-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5R,6S)-6-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5R,6S)-6-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O.
What is the InChIKey of (5R,6S)-6-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is CMBVVHGPYQQONB-FKIZINRSSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-7-5-6-10-20(12)18(25)23(19(26)22-20)11-16(24)17-13(2)21-15-9-4-3-8-14(15)17/h3-4,8-9,12,21H,5-7,10-11H2,1-2H3,(H,22,26)/t12-,20+/m0/s1.
What are the key properties of (5R,6S)-6-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
(5R,6S)-6-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 353.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2703375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).