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

C15H22N4O3 — CID 95866736

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

(4S)-5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 95866736) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (4S)-5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: (4S)-5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
• PubChem CID: 95866736
• Molecular Formula: C15H22N4O3
• Molecular Weight: 306.37 g/mol
• Exact Mass: 306.17
• IUPAC Name: (4S)-5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
• SMILES: O=C(O)[C@@H]1c2nc[nH]c2CCN1C(=O)CCN1CCCCC1
• InChI: 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)/t14-/m0/s1
• InChIKey: NRHKIFSGAPOXRO-AWEZNQCLSA-N
• XLogP: 0.80
• TPSA: 89.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.37
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?

The IUPAC name of (4S)-5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid (CID 95866736) is (4S)-5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid.

What is the SMILES notation for (4S)-5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?

The canonical SMILES for (4S)-5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is O=C(O)[C@@H]1c2nc[nH]c2CCN1C(=O)CCN1CCCCC1.

What is the InChIKey of (4S)-5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?

The InChIKey is NRHKIFSGAPOXRO-AWEZNQCLSA-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)/t14-/m0/s1.

What are the key properties of (4S)-5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid?

(4S)-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 (4S)-5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 95866736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).