6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide

C20H26N4O — CID 126467180

IUPAC6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCn1ccnc1)C1CC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C20H26N4O/c25-19(22-9-13-24-12-8-21-16-24)18-14-20(18)6-10-23(11-7-20)15-17-4-2-1-3-5-17/h1-5,8,12,16,18H,6-7,9-11,13-15H2,(H,22,25)
InChIKeyGOJCZAYHYGNXGS-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.30
Rot. Bonds6

About 6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide

6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126467180) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID126467180
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCn1ccnc1)C1CC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C20H26N4O/c25-19(22-9-13-24-12-8-21-16-24)18-14-20(18)6-10-23(11-7-20)15-17-4-2-1-3-5-17/h1-5,8,12,16,18H,6-7,9-11,13-15H2,(H,22,25)
InChIKeyGOJCZAYHYGNXGS-UHFFFAOYSA-N
XLogP2.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-imidazol-1-ylethyl)-6-[2-(4-phenylphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 118754104
6-benzyl-N-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126462699
(2S)-N-(3,3-diphenylpropyl)-6-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42407474
(3S)-1-(1-benzylpiperidin-4-yl)-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide
CID 95550117
N-benzyl-6-[(4-fluorophenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126462563
(3S,4S)-1-benzyl-4-(4-fluorobenzoyl)-N-(2-imidazol-1-ylethyl)pyrrolidine-3-carboxamide
CID 46956887
N-(2-phenylethyl)-6-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126464637
1-(1-benzyl-4-methylpyrrolidin-3-yl)-3-(2-imidazol-1-ylethyl)urea
CID 75478257
1-(1-benzylpiperidin-4-yl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide
CID 110986937
6-[(3-phenoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126466559
(2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42245962
6-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126463249

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 126467180) is 6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCn1ccnc1)C1CC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is GOJCZAYHYGNXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-19(22-9-13-24-12-8-21-16-24)18-14-20(18)6-10-23(11-7-20)15-17-4-2-1-3-5-17/h1-5,8,12,16,18H,6-7,9-11,13-15H2,(H,22,25).
What are the key properties of 6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-(2-imidazol-1-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126467180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).