2-[3-[[1-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]piperidin-4-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid

C29H30F3N3O4 — CID 155338404

About 2-[3-[[1-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]piperidin-4-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid

2-[3-[[1-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]piperidin-4-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid (PubChem CID 155338404) has the molecular formula C29H30F3N3O4 and a molecular weight of 541.57 g/mol. Its IUPAC name is 2-[3-[[1-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]piperidin-4-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[[1-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]piperidin-4-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid
• PubChem CID: 155338404
• Molecular Formula: C29H30F3N3O4
• Molecular Weight: 541.57 g/mol
• Exact Mass: 541.22
• IUPAC Name: 2-[3-[[1-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]piperidin-4-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid
• SMILES: COc1ccc(-c2ccc(C(F)(F)F)nc2)c(N2CCC(COc3cc4c(cn3)CCC4CC(=O)O)CC2)c1
• InChI: InChI=1S/C29H30F3N3O4/c1-38-22-5-6-23(20-4-7-26(33-15-20)29(30,31)32)25(13-22)35-10-8-18(9-11-35)17-39-27-14-24-19(12-28(36)37)2-3-21(24)16-34-27/h4-7,13-16,18-19H,2-3,8-12,17H2,1H3,(H,36,37)
• InChIKey: RENOZIHOGIMXQF-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 84.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.57
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]piperidin-4-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid?

The IUPAC name of 2-[3-[[1-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]piperidin-4-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid (CID 155338404) is 2-[3-[[1-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]piperidin-4-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid.

What is the SMILES notation for 2-[3-[[1-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]piperidin-4-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid?

The canonical SMILES for 2-[3-[[1-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]piperidin-4-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid is COc1ccc(-c2ccc(C(F)(F)F)nc2)c(N2CCC(COc3cc4c(cn3)CCC4CC(=O)O)CC2)c1.

What is the InChIKey of 2-[3-[[1-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]piperidin-4-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid?

The InChIKey is RENOZIHOGIMXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N3O4/c1-38-22-5-6-23(20-4-7-26(33-15-20)29(30,31)32)25(13-22)35-10-8-18(9-11-35)17-39-27-14-24-19(12-28(36)37)2-3-21(24)16-34-27/h4-7,13-16,18-19H,2-3,8-12,17H2,1H3,(H,36,37).

What are the key properties of 2-[3-[[1-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]piperidin-4-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid?

2-[3-[[1-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]piperidin-4-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid has a molecular weight of 541.57 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[1-[5-methoxy-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]piperidin-4-yl]methoxy]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]acetic acid is sourced from PubChem (CID 155338404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).