2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid

C19H23N3O4 — CID 72881454

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOc1cccc(N2CCN(C(C(=O)O)c3ccc(OC)nc3)CC2)c1
InChIInChI=1S/C19H23N3O4/c1-25-16-5-3-4-15(12-16)21-8-10-22(11-9-21)18(19(23)24)14-6-7-17(26-2)20-13-14/h3-7,12-13,18H,8-11H2,1-2H3,(H,23,24)
InChIKeyRGZYWLYAOCALBP-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.05
Rot. Bonds6

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid

2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid (PubChem CID 72881454) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid
PubChem CID72881454
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOc1cccc(N2CCN(C(C(=O)O)c3ccc(OC)nc3)CC2)c1
InChIInChI=1S/C19H23N3O4/c1-25-16-5-3-4-15(12-16)21-8-10-22(11-9-21)18(19(23)24)14-6-7-17(26-2)20-13-14/h3-7,12-13,18H,8-11H2,1-2H3,(H,23,24)
InChIKeyRGZYWLYAOCALBP-UHFFFAOYSA-N
XLogP2.05
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid (CID 72881454) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid is COc1cccc(N2CCN(C(C(=O)O)c3ccc(OC)nc3)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid?
The InChIKey is RGZYWLYAOCALBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-25-16-5-3-4-15(12-16)21-8-10-22(11-9-21)18(19(23)24)14-6-7-17(26-2)20-13-14/h3-7,12-13,18H,8-11H2,1-2H3,(H,23,24).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid has a molecular weight of 357.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid is sourced from PubChem (CID 72881454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).