(2R)-2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid

C19H23N3O3 — CID 97198091

IUPAC(2R)-2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
SMILESCOc1ccc([C@H](C(=O)O)N2CCN(c3ccccn3)CC2)c(C)c1
InChIInChI=1S/C19H23N3O3/c1-14-13-15(25-2)6-7-16(14)18(19(23)24)22-11-9-21(10-12-22)17-5-3-4-8-20-17/h3-8,13,18H,9-12H2,1-2H3,(H,23,24)/t18-/m1/s1
InChIKeyKNSHXRJYLAOONQ-GOSISDBHSA-N
MW341.41 g/mol
LogP2.35
Rot. Bonds5

About (2R)-2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid

(2R)-2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid (PubChem CID 97198091) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2R)-2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name(2R)-2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
PubChem CID97198091
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2R)-2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
SMILESCOc1ccc([C@H](C(=O)O)N2CCN(c3ccccn3)CC2)c(C)c1
InChIInChI=1S/C19H23N3O3/c1-14-13-15(25-2)6-7-16(14)18(19(23)24)22-11-9-21(10-12-22)17-5-3-4-8-20-17/h3-8,13,18H,9-12H2,1-2H3,(H,23,24)/t18-/m1/s1
InChIKeyKNSHXRJYLAOONQ-GOSISDBHSA-N
XLogP2.35
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
CID 72887088
2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-2-methylphenyl)acetic acid
CID 72907311
N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4880356
3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid
CID 103224487
2-(5-methoxy-1H-indol-3-yl)-2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]acetic acid
CID 42654111
N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 17455607
2-(1,3-benzodioxol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
CID 72853099
2-(6-fluoro-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
CID 42652475
(2S)-2-(2-methoxy-5-methylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetic acid
CID 97193236
(2S)-2-(azepan-1-yl)-2-(2,4-dimethoxyphenyl)acetic acid
CID 93464327
3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
CID 78976730
2-(4-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110436668

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid?
The IUPAC name of (2R)-2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid (CID 97198091) is (2R)-2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid.
What is the SMILES notation for (2R)-2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid?
The canonical SMILES for (2R)-2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid is COc1ccc([C@H](C(=O)O)N2CCN(c3ccccn3)CC2)c(C)c1.
What is the InChIKey of (2R)-2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid?
The InChIKey is KNSHXRJYLAOONQ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-13-15(25-2)6-7-16(14)18(19(23)24)22-11-9-21(10-12-22)17-5-3-4-8-20-17/h3-8,13,18H,9-12H2,1-2H3,(H,23,24)/t18-/m1/s1.
What are the key properties of (2R)-2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid?
(2R)-2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid has a molecular weight of 341.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 97198091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).