(5S)-N-cyclooctyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide

C15H24N4O3 — CID 164637486

IUPAC(5S)-N-cyclooctyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
SMILESO=C1NC(=O)[C@@]2(CCN(C(=O)NC3CCCCCCC3)C2)N1
InChIInChI=1S/C15H24N4O3/c20-12-15(18-13(21)17-12)8-9-19(10-15)14(22)16-11-6-4-2-1-3-5-7-11/h11H,1-10H2,(H,16,22)(H2,17,18,20,21)/t15-/m0/s1
InChIKeyHQBINUCSDXXEPQ-HNNXBMFYSA-N
MW308.38 g/mol
LogP1.09
Rot. Bonds1

About (5S)-N-cyclooctyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide

(5S)-N-cyclooctyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide (PubChem CID 164637486) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is (5S)-N-cyclooctyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5S)-N-cyclooctyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
PubChem CID164637486
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name(5S)-N-cyclooctyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
SMILESO=C1NC(=O)[C@@]2(CCN(C(=O)NC3CCCCCCC3)C2)N1
InChIInChI=1S/C15H24N4O3/c20-12-15(18-13(21)17-12)8-9-19(10-15)14(22)16-11-6-4-2-1-3-5-7-11/h11H,1-10H2,(H,16,22)(H2,17,18,20,21)/t15-/m0/s1
InChIKeyHQBINUCSDXXEPQ-HNNXBMFYSA-N
XLogP1.09
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-N-cyclooctyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide 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

3-(Propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 71873198
3-[4-[(2S,4S)-4-fluoro-2-(methylaminomethyl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-dimethylimidazolidine-2,4-dione
CID 137840821
7-[2-(Azepan-1-yl)propanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 132469789
3-Methyl-7-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 127282457
3-(Cyclobutylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 139306482
3,7-Di(propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 166023008
(5S,8S)-7-(2-aminoacetyl)-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-8-carboxamide
CID 169617230
(8R)-1,8-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 171733048
7-Tert-butyl-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 178712852
N-cyclooctyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 16234848
N-cyclooctyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18106181
N-cyclooctyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 32690272

Frequently Asked Questions

What is the IUPAC name of (5S)-N-cyclooctyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5S)-N-cyclooctyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide (CID 164637486) is (5S)-N-cyclooctyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5S)-N-cyclooctyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5S)-N-cyclooctyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide is O=C1NC(=O)[C@@]2(CCN(C(=O)NC3CCCCCCC3)C2)N1.
What is the InChIKey of (5S)-N-cyclooctyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide?
The InChIKey is HQBINUCSDXXEPQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N4O3/c20-12-15(18-13(21)17-12)8-9-19(10-15)14(22)16-11-6-4-2-1-3-5-7-11/h11H,1-10H2,(H,16,22)(H2,17,18,20,21)/t15-/m0/s1.
What are the key properties of (5S)-N-cyclooctyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide?
(5S)-N-cyclooctyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-cyclooctyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 164637486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).