5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid

C13H19N3O3 — CID 110482691

IUPAC5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C13H19N3O3/c17-11(2-1-3-12(18)19)16-8-4-10(5-9-16)13-14-6-7-15-13/h6-7,10H,1-5,8-9H2,(H,14,15)(H,18,19)
InChIKeyFVQXHVJLZSFPNU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.37
Rot. Bonds5

About 5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid

5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid (PubChem CID 110482691) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid
PubChem CID110482691
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C13H19N3O3/c17-11(2-1-3-12(18)19)16-8-4-10(5-9-16)13-14-6-7-15-13/h6-7,10H,1-5,8-9H2,(H,14,15)(H,18,19)
InChIKeyFVQXHVJLZSFPNU-UHFFFAOYSA-N
XLogP1.37
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 110480830
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110725809
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 95895283
N-(2,2-dimethylpropyl)-4-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 110748389
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 70707253
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110725820
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(piperidin-4-ylmethoxy)ethanone
CID 167945995
(E)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]but-2-en-1-one
CID 110470223
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 110725800
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 72842618
5-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 134069580
4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
CID 70773690

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid (CID 110482691) is 5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid is O=C(O)CCCC(=O)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid?
The InChIKey is FVQXHVJLZSFPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-11(2-1-3-12(18)19)16-8-4-10(5-9-16)13-14-6-7-15-13/h6-7,10H,1-5,8-9H2,(H,14,15)(H,18,19).
What are the key properties of 5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid?
5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 110482691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).