N-(1H-benzimidazol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide

C16H20N4O2 — CID 154973247

IUPACN-(1H-benzimidazol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)N1CCC2(CCCOC2)C1
InChIInChI=1S/C16H20N4O2/c21-15(19-14-17-12-4-1-2-5-13(12)18-14)20-8-7-16(10-20)6-3-9-22-11-16/h1-2,4-5H,3,6-11H2,(H2,17,18,19,21)
InChIKeyVKMZPFDMCZTRLC-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.60
Rot. Bonds1

About N-(1H-benzimidazol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-(1H-benzimidazol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 154973247) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID154973247
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(1H-benzimidazol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)N1CCC2(CCCOC2)C1
InChIInChI=1S/C16H20N4O2/c21-15(19-14-17-12-4-1-2-5-13(12)18-14)20-8-7-16(10-20)6-3-9-22-11-16/h1-2,4-5H,3,6-11H2,(H2,17,18,19,21)
InChIKeyVKMZPFDMCZTRLC-UHFFFAOYSA-N
XLogP2.60
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-N-(3H-indol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide;methanol;1-methylpyrazole
CID 167705786
(5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99633932
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 126792098
(5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99786692
N-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 132972819
(1H-benzimidazol-2-ylamino) piperidine-1-carboxylate
CID 22711771
tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate
CID 124615985
(5R)-N-dibenzofuran-3-yl-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97017490
2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide
CID 159257765
N-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63562778
N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide
CID 63563740
N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47044809

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 154973247) is N-(1H-benzimidazol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide is O=C(Nc1nc2ccccc2[nH]1)N1CCC2(CCCOC2)C1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is VKMZPFDMCZTRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15(19-14-17-12-4-1-2-5-13(12)18-14)20-8-7-16(10-20)6-3-9-22-11-16/h1-2,4-5H,3,6-11H2,(H2,17,18,19,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-(1H-benzimidazol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 154973247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).