2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C18H26N4O3 — CID 72844359

IUPAC2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(Cc1cnc[nH]1)N1CCC2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C18H26N4O3/c23-16(10-14-11-19-13-20-14)21-7-5-18(12-21)4-1-6-22(17(18)24)15-2-8-25-9-3-15/h11,13,15H,1-10,12H2,(H,19,20)
InChIKeyDLEMRUILIDYPNR-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.97
Rot. Bonds3

About 2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72844359) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72844359
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(Cc1cnc[nH]1)N1CCC2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C18H26N4O3/c23-16(10-14-11-19-13-20-14)21-7-5-18(12-21)4-1-6-22(17(18)24)15-2-8-25-9-3-15/h11,13,15H,1-10,12H2,(H,19,20)
InChIKeyDLEMRUILIDYPNR-UHFFFAOYSA-N
XLogP0.97
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97109908
(5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97139032
(5S)-2-[2-(2-methoxyethoxy)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97147920
(5S)-2-(5-ethyl-1H-pyrrole-2-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127244
(5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120893
(5S)-2-(5-methyl-2H-triazole-4-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127372
5-[(5R)-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1,2-oxazol-3-one
CID 97110294
2-(5-methyl-1,2-oxazole-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72913600
2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72841848
2-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72870949
(5S)-2-(6-methoxypyridine-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195142
(5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97142794

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72844359) is 2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is O=C(Cc1cnc[nH]1)N1CCC2(CCCN(C3CCOCC3)C2=O)C1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is DLEMRUILIDYPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-16(10-14-11-19-13-20-14)21-7-5-18(12-21)4-1-6-22(17(18)24)15-2-8-25-9-3-15/h11,13,15H,1-10,12H2,(H,19,20).
What are the key properties of 2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 346.43 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72844359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).