2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one

C23H28N4O2 — CID 146072045

IUPAC2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
SMILESO=C(c1cnc[nH]1)N1CCC(N2C(=O)C3(CCCCC3)C2c2ccccc2)CC1
InChIInChI=1S/C23H28N4O2/c28-21(19-15-24-16-25-19)26-13-9-18(10-14-26)27-20(17-7-3-1-4-8-17)23(22(27)29)11-5-2-6-12-23/h1,3-4,7-8,15-16,18,20H,2,5-6,9-14H2,(H,24,25)
InChIKeyQLSWYUWVIGEVDE-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.55
Rot. Bonds3

About 2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one

2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one (PubChem CID 146072045) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
PubChem CID146072045
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
SMILESO=C(c1cnc[nH]1)N1CCC(N2C(=O)C3(CCCCC3)C2c2ccccc2)CC1
InChIInChI=1S/C23H28N4O2/c28-21(19-15-24-16-25-19)26-13-9-18(10-14-26)27-20(17-7-3-1-4-8-17)23(22(27)29)11-5-2-6-12-23/h1,3-4,7-8,15-16,18,20H,2,5-6,9-14H2,(H,24,25)
InChIKeyQLSWYUWVIGEVDE-UHFFFAOYSA-N
XLogP3.55
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one with MolForge

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Related Compounds

2-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 146072062
2-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 146072042
2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one
CID 91921156
2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 146072035
2-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one
CID 91921151
fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone
CID 167484753
ethane;1H-imidazol-5-yl(piperidin-1-yl)methanone
CID 142344786
(3R,4R)-3-benzyl-4-hydroxy-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylic acid
CID 165428792
1H-imidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946369
1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 89293635
[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 42454203
1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568032

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The IUPAC name of 2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one (CID 146072045) is 2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one.
What is the SMILES notation for 2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The canonical SMILES for 2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one is O=C(c1cnc[nH]1)N1CCC(N2C(=O)C3(CCCCC3)C2c2ccccc2)CC1.
What is the InChIKey of 2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The InChIKey is QLSWYUWVIGEVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-21(19-15-24-16-25-19)26-13-9-18(10-14-26)27-20(17-7-3-1-4-8-17)23(22(27)29)11-5-2-6-12-23/h1,3-4,7-8,15-16,18,20H,2,5-6,9-14H2,(H,24,25).
What are the key properties of 2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one?
2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one has a molecular weight of 392.50 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one is sourced from PubChem (CID 146072045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).