2-[1-(cyclohexylmethyl)-3-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]acetic acid

C21H30N4O2 — CID 162799488

About 2-[1-(cyclohexylmethyl)-3-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]acetic acid

2-[1-(cyclohexylmethyl)-3-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]acetic acid (PubChem CID 162799488) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-3-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[1-(cyclohexylmethyl)-3-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]acetic acid
• PubChem CID: 162799488
• Molecular Formula: C21H30N4O2
• Molecular Weight: 370.50 g/mol
• Exact Mass: 370.24
• IUPAC Name: 2-[1-(cyclohexylmethyl)-3-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]acetic acid
• SMILES: O=C(O)CC1CCN(CC2CCCCC2)CC1Cc1nc2ccncc2[nH]1
• InChI: InChI=1S/C21H30N4O2/c26-21(27)11-16-7-9-25(13-15-4-2-1-3-5-15)14-17(16)10-20-23-18-6-8-22-12-19(18)24-20/h6,8,12,15-17H,1-5,7,9-11,13-14H2,(H,23,24)(H,26,27)
• InChIKey: XFSXVQNLQCHQKW-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 82.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.50
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-3-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]acetic acid?

The IUPAC name of 2-[1-(cyclohexylmethyl)-3-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]acetic acid (CID 162799488) is 2-[1-(cyclohexylmethyl)-3-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]acetic acid.

What is the SMILES notation for 2-[1-(cyclohexylmethyl)-3-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]acetic acid?

The canonical SMILES for 2-[1-(cyclohexylmethyl)-3-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(CC2CCCCC2)CC1Cc1nc2ccncc2[nH]1.

What is the InChIKey of 2-[1-(cyclohexylmethyl)-3-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]acetic acid?

The InChIKey is XFSXVQNLQCHQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c26-21(27)11-16-7-9-25(13-15-4-2-1-3-5-15)14-17(16)10-20-23-18-6-8-22-12-19(18)24-20/h6,8,12,15-17H,1-5,7,9-11,13-14H2,(H,23,24)(H,26,27).

What are the key properties of 2-[1-(cyclohexylmethyl)-3-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]acetic acid?

2-[1-(cyclohexylmethyl)-3-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]acetic acid has a molecular weight of 370.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(cyclohexylmethyl)-3-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 162799488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).