2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C17H20N4O2 — CID 97268730

About 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 97268730) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
• PubChem CID: 97268730
• Molecular Formula: C17H20N4O2
• Molecular Weight: 312.37 g/mol
• Exact Mass: 312.16
• IUPAC Name: 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
• SMILES: O=C(O)c1cc2c(nc1N1CCC[C@H](c3ncc[nH]3)C1)CCC2
• InChI: InChI=1S/C17H20N4O2/c22-17(23)13-9-11-3-1-5-14(11)20-16(13)21-8-2-4-12(10-21)15-18-6-7-19-15/h6-7,9,12H,1-5,8,10H2,(H,18,19)(H,22,23)/t12-/m0/s1
• InChIKey: RSESZBKEKHOPSF-LBPRGKRZSA-N
• XLogP: 2.38
• TPSA: 82.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.37
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?

The IUPAC name of 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 97268730) is 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

What is the SMILES notation for 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?

The canonical SMILES for 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is O=C(O)c1cc2c(nc1N1CCC[C@H](c3ncc[nH]3)C1)CCC2.

What is the InChIKey of 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?

The InChIKey is RSESZBKEKHOPSF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(23)13-9-11-3-1-5-14(11)20-16(13)21-8-2-4-12(10-21)15-18-6-7-19-15/h6-7,9,12H,1-5,8,10H2,(H,18,19)(H,22,23)/t12-/m0/s1.

What are the key properties of 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?

2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 97268730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).