5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

C15H22N4O3 — CID 70724961

IUPAC5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)C1c2nc[nH]c2CCN1C(=O)CCN1CCCCC1
InChIInChI=1S/C15H22N4O3/c20-12(5-8-18-6-2-1-3-7-18)19-9-4-11-13(17-10-16-11)14(19)15(21)22/h10,14H,1-9H2,(H,16,17)(H,21,22)
InChIKeyNRHKIFSGAPOXRO-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.80
Rot. Bonds4

About 5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid

5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 70724961) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID70724961
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
SMILESO=C(O)C1c2nc[nH]c2CCN1C(=O)CCN1CCCCC1
InChIInChI=1S/C15H22N4O3/c20-12(5-8-18-6-2-1-3-7-18)19-9-4-11-13(17-10-16-11)14(19)15(21)22/h10,14H,1-9H2,(H,16,17)(H,21,22)
InChIKeyNRHKIFSGAPOXRO-UHFFFAOYSA-N
XLogP0.80
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (CID 70724961) is 5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is O=C(O)C1c2nc[nH]c2CCN1C(=O)CCN1CCCCC1.
What is the InChIKey of 5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is NRHKIFSGAPOXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-12(5-8-18-6-2-1-3-7-18)19-9-4-11-13(17-10-16-11)14(19)15(21)22/h10,14H,1-9H2,(H,16,17)(H,21,22).
What are the key properties of 5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?
5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 70724961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).