2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

C16H24N4O2 — CID 118295008

IUPAC2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESO=C(O)N1CCC2(CC(N3CCC(c4ncc[nH]4)CC3)C2)C1
InChIInChI=1S/C16H24N4O2/c21-15(22)20-8-3-16(11-20)9-13(10-16)19-6-1-12(2-7-19)14-17-4-5-18-14/h4-5,12-13H,1-3,6-11H2,(H,17,18)(H,21,22)
InChIKeyNKAJHZQTPXHSNE-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.12
Rot. Bonds2

About 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (PubChem CID 118295008) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.

Molecular Properties

Compound Name2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
PubChem CID118295008
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESO=C(O)N1CCC2(CC(N3CCC(c4ncc[nH]4)CC3)C2)C1
InChIInChI=1S/C16H24N4O2/c21-15(22)20-8-3-16(11-20)9-13(10-16)19-6-1-12(2-7-19)14-17-4-5-18-14/h4-5,12-13H,1-3,6-11H2,(H,17,18)(H,21,22)
InChIKeyNKAJHZQTPXHSNE-UHFFFAOYSA-N
XLogP2.12
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The IUPAC name of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (CID 118295008) is 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.
What is the SMILES notation for 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The canonical SMILES for 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is O=C(O)N1CCC2(CC(N3CCC(c4ncc[nH]4)CC3)C2)C1.
What is the InChIKey of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The InChIKey is NKAJHZQTPXHSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15(22)20-8-3-16(11-20)9-13(10-16)19-6-1-12(2-7-19)14-17-4-5-18-14/h4-5,12-13H,1-3,6-11H2,(H,17,18)(H,21,22).
What are the key properties of 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is sourced from PubChem (CID 118295008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).