4-(1-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylic acid

C12H16N4O3 — CID 91580227

IUPAC4-(1-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylic acid
SMILESCc1ncn2c1CN(C1CCN(C(=O)O)CC1)C2=O
InChIInChI=1S/C12H16N4O3/c1-8-10-6-15(11(17)16(10)7-13-8)9-2-4-14(5-3-9)12(18)19/h7,9H,2-6H2,1H3,(H,18,19)
InChIKeyGFQFBZQTFIERBQ-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.12
Rot. Bonds1

About 4-(1-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylic acid

4-(1-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylic acid (PubChem CID 91580227) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-(1-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylic acid
PubChem CID91580227
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name4-(1-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylic acid
SMILESCc1ncn2c1CN(C1CCN(C(=O)O)CC1)C2=O
InChIInChI=1S/C12H16N4O3/c1-8-10-6-15(11(17)16(10)7-13-8)9-2-4-14(5-3-9)12(18)19/h7,9H,2-6H2,1H3,(H,18,19)
InChIKeyGFQFBZQTFIERBQ-UHFFFAOYSA-N
XLogP1.12
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(1-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylic acid (CID 91580227) is 4-(1-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(1-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(1-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylic acid is Cc1ncn2c1CN(C1CCN(C(=O)O)CC1)C2=O.
What is the InChIKey of 4-(1-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylic acid?
The InChIKey is GFQFBZQTFIERBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8-10-6-15(11(17)16(10)7-13-8)9-2-4-14(5-3-9)12(18)19/h7,9H,2-6H2,1H3,(H,18,19).
What are the key properties of 4-(1-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylic acid?
4-(1-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 91580227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).