1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid

C13H18N4O3 — CID 79354470

IUPAC1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2Cc3nc[nH]c3CN2)CC1
InChIInChI=1S/C13H18N4O3/c18-12(17-3-1-8(2-4-17)13(19)20)10-5-9-11(6-14-10)16-7-15-9/h7-8,10,14H,1-6H2,(H,15,16)(H,19,20)
InChIKeyUBEZMSOVTDVEQW-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.25
Rot. Bonds2

About 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid

1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid (PubChem CID 79354470) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid
PubChem CID79354470
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2Cc3nc[nH]c3CN2)CC1
InChIInChI=1S/C13H18N4O3/c18-12(17-3-1-8(2-4-17)13(19)20)10-5-9-11(6-14-10)16-7-15-9/h7-8,10,14H,1-6H2,(H,15,16)(H,19,20)
InChIKeyUBEZMSOVTDVEQW-UHFFFAOYSA-N
XLogP-0.25
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid (CID 79354470) is 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)C2Cc3nc[nH]c3CN2)CC1.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is UBEZMSOVTDVEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c18-12(17-3-1-8(2-4-17)13(19)20)10-5-9-11(6-14-10)16-7-15-9/h7-8,10,14H,1-6H2,(H,15,16)(H,19,20).
What are the key properties of 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid?
1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 79354470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).