2-[5-ethoxycarbonyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid

C25H27N5O6 — CID 175078385

About 2-[5-ethoxycarbonyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid

2-[5-ethoxycarbonyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid (PubChem CID 175078385) has the molecular formula C25H27N5O6 and a molecular weight of 493.52 g/mol. Its IUPAC name is 2-[5-ethoxycarbonyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 2-[5-ethoxycarbonyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid
• PubChem CID: 175078385
• Molecular Formula: C25H27N5O6
• Molecular Weight: 493.52 g/mol
• Exact Mass: 493.20
• IUPAC Name: 2-[5-ethoxycarbonyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid
• SMILES: CCOC(=O)c1[nH]c(C2CCCCN2C(=O)O)nc1-c1ccc(C(=O)Nc2cc(OC)ccn2)cc1
• InChI: InChI=1S/C25H27N5O6/c1-3-36-24(32)21-20(28-22(29-21)18-6-4-5-13-30(18)25(33)34)15-7-9-16(10-8-15)23(31)27-19-14-17(35-2)11-12-26-19/h7-12,14,18H,3-6,13H2,1-2H3,(H,28,29)(H,33,34)(H,26,27,31)
• InChIKey: HBFGXSQHDSSIIH-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 146.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.52
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethoxycarbonyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid?

The IUPAC name of 2-[5-ethoxycarbonyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid (CID 175078385) is 2-[5-ethoxycarbonyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid.

What is the SMILES notation for 2-[5-ethoxycarbonyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid?

The canonical SMILES for 2-[5-ethoxycarbonyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid is CCOC(=O)c1[nH]c(C2CCCCN2C(=O)O)nc1-c1ccc(C(=O)Nc2cc(OC)ccn2)cc1.

What is the InChIKey of 2-[5-ethoxycarbonyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid?

The InChIKey is HBFGXSQHDSSIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O6/c1-3-36-24(32)21-20(28-22(29-21)18-6-4-5-13-30(18)25(33)34)15-7-9-16(10-8-15)23(31)27-19-14-17(35-2)11-12-26-19/h7-12,14,18H,3-6,13H2,1-2H3,(H,28,29)(H,33,34)(H,26,27,31).

What are the key properties of 2-[5-ethoxycarbonyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid?

2-[5-ethoxycarbonyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid has a molecular weight of 493.52 g/mol, XLogP of 4.11, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-ethoxycarbonyl-4-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-1H-imidazol-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175078385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).