N-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide

C12H17N3O3 — CID 112524400

IUPACN-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ncc[nH]1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H17N3O3/c16-10(15-11-13-5-6-14-11)9-1-3-12(4-2-9)17-7-8-18-12/h5-6,9H,1-4,7-8H2,(H2,13,14,15,16)
InChIKeyFLBJXRNIIDNFJX-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.28
Rot. Bonds2

About N-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide

N-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide (PubChem CID 112524400) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
PubChem CID112524400
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ncc[nH]1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H17N3O3/c16-10(15-11-13-5-6-14-11)9-1-3-12(4-2-9)17-7-8-18-12/h5-6,9H,1-4,7-8H2,(H2,13,14,15,16)
InChIKeyFLBJXRNIIDNFJX-UHFFFAOYSA-N
XLogP1.28
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decane-8-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

N-(1H-imidazol-2-yl)oxane-4-carboxamide
CID 60967951
(2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide
CID 103872487
N-(5-methyl-1H-pyrazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112521730
(3R)-N-(1H-imidazol-2-yl)piperidine-3-carboxamide
CID 81139688
N-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112525319
N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112520650
N-(1H-imidazol-2-yl)morpholine-2-carboxamide
CID 63562794
N-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112524042
N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112523910
N-(1H-imidazol-2-yl)ethanethioamide
CID 54241450
N-(1H-imidazol-2-yl)-3-methyloxetane-3-carboxamide
CID 130734644
2-cyclobutyl-N-(1H-imidazol-2-yl)acetamide
CID 103710639

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide (CID 112524400) is N-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide is O=C(Nc1ncc[nH]1)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The InChIKey is FLBJXRNIIDNFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-10(15-11-13-5-6-14-11)9-1-3-12(4-2-9)17-7-8-18-12/h5-6,9H,1-4,7-8H2,(H2,13,14,15,16).
What are the key properties of N-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
N-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 112524400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).