2-[3-[(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid

C20H27N3O4 — CID 126443309

About 2-[3-[(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid

2-[3-[(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid (PubChem CID 126443309) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-[3-[(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
• PubChem CID: 126443309
• Molecular Formula: C20H27N3O4
• Molecular Weight: 373.45 g/mol
• Exact Mass: 373.20
• IUPAC Name: 2-[3-[(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
• SMILES: COCc1cc(CN2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)ccc1OC
• InChI: InChI=1S/C20H27N3O4/c1-26-14-17-10-15(5-6-19(17)27-2)11-22-8-3-4-16(12-22)18-7-9-23(21-18)13-20(24)25/h5-7,9-10,16H,3-4,8,11-14H2,1-2H3,(H,24,25)/t16-/m1/s1
• InChIKey: CFPPWNFKKFNXBK-MRXNPFEDSA-N
• XLogP: 2.50
• TPSA: 76.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.45
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?

The IUPAC name of 2-[3-[(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid (CID 126443309) is 2-[3-[(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid.

What is the SMILES notation for 2-[3-[(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?

The canonical SMILES for 2-[3-[(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid is COCc1cc(CN2CCC[C@@H](c3ccn(CC(=O)O)n3)C2)ccc1OC.

What is the InChIKey of 2-[3-[(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?

The InChIKey is CFPPWNFKKFNXBK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-26-14-17-10-15(5-6-19(17)27-2)11-22-8-3-4-16(12-22)18-7-9-23(21-18)13-20(24)25/h5-7,9-10,16H,3-4,8,11-14H2,1-2H3,(H,24,25)/t16-/m1/s1.

What are the key properties of 2-[3-[(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?

2-[3-[(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid has a molecular weight of 373.45 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 126443309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).