(3R,5R)-5-[2-[(2E)-2-[(5-phenylfuran-2-yl)methylidene]hydrazinyl]ethyl]piperidine-3-carboxylic acid

C19H23N3O3 — CID 155513521

IUPAC(3R,5R)-5-[2-[(2E)-2-[(5-phenylfuran-2-yl)methylidene]hydrazinyl]ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CNC[C@@H](CCN/N=C/c2ccc(-c3ccccc3)o2)C1
InChIInChI=1S/C19H23N3O3/c23-19(24)16-10-14(11-20-12-16)8-9-21-22-13-17-6-7-18(25-17)15-4-2-1-3-5-15/h1-7,13-14,16,20-21H,8-12H2,(H,23,24)/b22-13+/t14-,16+/m0/s1
InChIKeyKHPGTTSOPJDGMO-QWTUAFGRSA-N
MW341.41 g/mol
LogP2.57
Rot. Bonds7

About (3R,5R)-5-[2-[(2E)-2-[(5-phenylfuran-2-yl)methylidene]hydrazinyl]ethyl]piperidine-3-carboxylic acid

(3R,5R)-5-[2-[(2E)-2-[(5-phenylfuran-2-yl)methylidene]hydrazinyl]ethyl]piperidine-3-carboxylic acid (PubChem CID 155513521) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3R,5R)-5-[2-[(2E)-2-[(5-phenylfuran-2-yl)methylidene]hydrazinyl]ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5R)-5-[2-[(2E)-2-[(5-phenylfuran-2-yl)methylidene]hydrazinyl]ethyl]piperidine-3-carboxylic acid
PubChem CID155513521
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(3R,5R)-5-[2-[(2E)-2-[(5-phenylfuran-2-yl)methylidene]hydrazinyl]ethyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CNC[C@@H](CCN/N=C/c2ccc(-c3ccccc3)o2)C1
InChIInChI=1S/C19H23N3O3/c23-19(24)16-10-14(11-20-12-16)8-9-21-22-13-17-6-7-18(25-17)15-4-2-1-3-5-15/h1-7,13-14,16,20-21H,8-12H2,(H,23,24)/b22-13+/t14-,16+/m0/s1
InChIKeyKHPGTTSOPJDGMO-QWTUAFGRSA-N
XLogP2.57
TPSA86.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[2-[(2E)-2-[(5-phenylfuran-2-yl)methylidene]hydrazinyl]ethyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R,5R)-5-[2-[(2E)-2-[(5-phenylfuran-2-yl)methylidene]hydrazinyl]ethyl]piperidine-3-carboxylic acid (CID 155513521) is (3R,5R)-5-[2-[(2E)-2-[(5-phenylfuran-2-yl)methylidene]hydrazinyl]ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,5R)-5-[2-[(2E)-2-[(5-phenylfuran-2-yl)methylidene]hydrazinyl]ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R,5R)-5-[2-[(2E)-2-[(5-phenylfuran-2-yl)methylidene]hydrazinyl]ethyl]piperidine-3-carboxylic acid is O=C(O)[C@H]1CNC[C@@H](CCN/N=C/c2ccc(-c3ccccc3)o2)C1.
What is the InChIKey of (3R,5R)-5-[2-[(2E)-2-[(5-phenylfuran-2-yl)methylidene]hydrazinyl]ethyl]piperidine-3-carboxylic acid?
The InChIKey is KHPGTTSOPJDGMO-QWTUAFGRSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-19(24)16-10-14(11-20-12-16)8-9-21-22-13-17-6-7-18(25-17)15-4-2-1-3-5-15/h1-7,13-14,16,20-21H,8-12H2,(H,23,24)/b22-13+/t14-,16+/m0/s1.
What are the key properties of (3R,5R)-5-[2-[(2E)-2-[(5-phenylfuran-2-yl)methylidene]hydrazinyl]ethyl]piperidine-3-carboxylic acid?
(3R,5R)-5-[2-[(2E)-2-[(5-phenylfuran-2-yl)methylidene]hydrazinyl]ethyl]piperidine-3-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[2-[(2E)-2-[(5-phenylfuran-2-yl)methylidene]hydrazinyl]ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 155513521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).