(5S,9S)-3-[[(4S)-1,3-dioxan-4-yl]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

C16H26N2O4 — CID 7910416

IUPAC(5S,9S)-3-[[(4S)-1,3-dioxan-4-yl]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(C[C@@H]1CCOCO1)C2=O
InChIInChI=1S/C16H26N2O4/c1-11-6-15(2,3)9-16(7-11)13(19)18(14(20)17-16)8-12-4-5-21-10-22-12/h11-12H,4-10H2,1-3H3,(H,17,20)/t11-,12-,16-/m0/s1
InChIKeyLOOCYXDYPUNITO-MKBNYLNASA-N
MW310.39 g/mol
LogP1.89
Rot. Bonds2

About (5S,9S)-3-[[(4S)-1,3-dioxan-4-yl]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

(5S,9S)-3-[[(4S)-1,3-dioxan-4-yl]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 7910416) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is (5S,9S)-3-[[(4S)-1,3-dioxan-4-yl]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S,9S)-3-[[(4S)-1,3-dioxan-4-yl]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID7910416
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name(5S,9S)-3-[[(4S)-1,3-dioxan-4-yl]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(C[C@@H]1CCOCO1)C2=O
InChIInChI=1S/C16H26N2O4/c1-11-6-15(2,3)9-16(7-11)13(19)18(14(20)17-16)8-12-4-5-21-10-22-12/h11-12H,4-10H2,1-3H3,(H,17,20)/t11-,12-,16-/m0/s1
InChIKeyLOOCYXDYPUNITO-MKBNYLNASA-N
XLogP1.89
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S,9S)-3-[[(4S)-1,3-dioxan-4-yl]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-dioxaspiro[4.5]decan-8-yl 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 154751862
N-cyclopropyl-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25388631
(5S,9R)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8002516
8-methyl-3-(oxolan-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4825972
N-(2-methylpiperidin-3-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 120573728
N-cycloheptyl-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25401084
(5S,9S)-7,7,9-trimethyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9452774
N-pentan-3-yl-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41012688
N-methoxy-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43010885
1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119354071
cyclohexylmethyl 2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 29458864
1-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119355875

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-3-[[(4S)-1,3-dioxan-4-yl]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S,9S)-3-[[(4S)-1,3-dioxan-4-yl]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 7910416) is (5S,9S)-3-[[(4S)-1,3-dioxan-4-yl]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S,9S)-3-[[(4S)-1,3-dioxan-4-yl]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S,9S)-3-[[(4S)-1,3-dioxan-4-yl]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(C[C@@H]1CCOCO1)C2=O.
What is the InChIKey of (5S,9S)-3-[[(4S)-1,3-dioxan-4-yl]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is LOOCYXDYPUNITO-MKBNYLNASA-N. The full InChI is InChI=1S/C16H26N2O4/c1-11-6-15(2,3)9-16(7-11)13(19)18(14(20)17-16)8-12-4-5-21-10-22-12/h11-12H,4-10H2,1-3H3,(H,17,20)/t11-,12-,16-/m0/s1.
What are the key properties of (5S,9S)-3-[[(4S)-1,3-dioxan-4-yl]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5S,9S)-3-[[(4S)-1,3-dioxan-4-yl]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 310.39 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-3-[[(4S)-1,3-dioxan-4-yl]methyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 7910416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).