(2Z)-2-amino-2-[4-methoxy-1-(2-phenylphenyl)piperidin-2-yl]iminoacetic acid

C20H23N3O3 — CID 139674777

IUPAC(2Z)-2-amino-2-[4-methoxy-1-(2-phenylphenyl)piperidin-2-yl]iminoacetic acid
SMILESCOC1CCN(c2ccccc2-c2ccccc2)C(/N=C(\N)C(=O)O)C1
InChIInChI=1S/C20H23N3O3/c1-26-15-11-12-23(18(13-15)22-19(21)20(24)25)17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-10,15,18H,11-13H2,1H3,(H2,21,22)(H,24,25)
InChIKeyYIVYWLAXGNUMDZ-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.74
Rot. Bonds4

About (2Z)-2-amino-2-[4-methoxy-1-(2-phenylphenyl)piperidin-2-yl]iminoacetic acid

(2Z)-2-amino-2-[4-methoxy-1-(2-phenylphenyl)piperidin-2-yl]iminoacetic acid (PubChem CID 139674777) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2Z)-2-amino-2-[4-methoxy-1-(2-phenylphenyl)piperidin-2-yl]iminoacetic acid.

Molecular Properties

Compound Name(2Z)-2-amino-2-[4-methoxy-1-(2-phenylphenyl)piperidin-2-yl]iminoacetic acid
PubChem CID139674777
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(2Z)-2-amino-2-[4-methoxy-1-(2-phenylphenyl)piperidin-2-yl]iminoacetic acid
SMILESCOC1CCN(c2ccccc2-c2ccccc2)C(/N=C(\N)C(=O)O)C1
InChIInChI=1S/C20H23N3O3/c1-26-15-11-12-23(18(13-15)22-19(21)20(24)25)17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-10,15,18H,11-13H2,1H3,(H2,21,22)(H,24,25)
InChIKeyYIVYWLAXGNUMDZ-UHFFFAOYSA-N
XLogP2.74
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-amino-2-[4-methylsulfonyl-1-(2-phenylphenyl)piperazin-2-yl]iminoacetic acid
CID 139674760
2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
6-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pyridine-2-carboxamide
CID 112622854
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid
CID 146080993
2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone
CID 59564588
2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110882787
2-[4-(4-methoxypiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 110725297
2-amino-3-(3-methoxypyrrolidin-1-yl)benzamide
CID 103537154
(3-methoxypiperidin-1-yl)-[4-(2-methylsulfanylphenyl)phenyl]methanone
CID 119064304
6-(3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 123494824
2-[11-(3-methoxypyrrolidin-1-yl)-11-oxoundecyl]isoindole-1,3-dione
CID 108754184
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-amino-2-[4-methoxy-1-(2-phenylphenyl)piperidin-2-yl]iminoacetic acid?
The IUPAC name of (2Z)-2-amino-2-[4-methoxy-1-(2-phenylphenyl)piperidin-2-yl]iminoacetic acid (CID 139674777) is (2Z)-2-amino-2-[4-methoxy-1-(2-phenylphenyl)piperidin-2-yl]iminoacetic acid.
What is the SMILES notation for (2Z)-2-amino-2-[4-methoxy-1-(2-phenylphenyl)piperidin-2-yl]iminoacetic acid?
The canonical SMILES for (2Z)-2-amino-2-[4-methoxy-1-(2-phenylphenyl)piperidin-2-yl]iminoacetic acid is COC1CCN(c2ccccc2-c2ccccc2)C(/N=C(\N)C(=O)O)C1.
What is the InChIKey of (2Z)-2-amino-2-[4-methoxy-1-(2-phenylphenyl)piperidin-2-yl]iminoacetic acid?
The InChIKey is YIVYWLAXGNUMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-15-11-12-23(18(13-15)22-19(21)20(24)25)17-10-6-5-9-16(17)14-7-3-2-4-8-14/h2-10,15,18H,11-13H2,1H3,(H2,21,22)(H,24,25).
What are the key properties of (2Z)-2-amino-2-[4-methoxy-1-(2-phenylphenyl)piperidin-2-yl]iminoacetic acid?
(2Z)-2-amino-2-[4-methoxy-1-(2-phenylphenyl)piperidin-2-yl]iminoacetic acid has a molecular weight of 353.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-amino-2-[4-methoxy-1-(2-phenylphenyl)piperidin-2-yl]iminoacetic acid is sourced from PubChem (CID 139674777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).