(3R,5S)-5-[[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid

C22H23N3O3 — CID 155543188

IUPAC(3R,5S)-5-[[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CNC[C@@H](CN/N=C/c2ccc(-c3cccc4ccccc34)o2)C1
InChIInChI=1S/C22H23N3O3/c26-22(27)17-10-15(11-23-13-17)12-24-25-14-18-8-9-21(28-18)20-7-3-5-16-4-1-2-6-19(16)20/h1-9,14-15,17,23-24H,10-13H2,(H,26,27)/b25-14+/t15-,17+/m0/s1
InChIKeyLJBVJKRYRCGTBC-NBWFOSRTSA-N
MW377.44 g/mol
LogP3.33
Rot. Bonds6

About (3R,5S)-5-[[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid

(3R,5S)-5-[[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid (PubChem CID 155543188) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (3R,5S)-5-[[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5S)-5-[[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
PubChem CID155543188
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(3R,5S)-5-[[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CNC[C@@H](CN/N=C/c2ccc(-c3cccc4ccccc34)o2)C1
InChIInChI=1S/C22H23N3O3/c26-22(27)17-10-15(11-23-13-17)12-24-25-14-18-8-9-21(28-18)20-7-3-5-16-4-1-2-6-19(16)20/h1-9,14-15,17,23-24H,10-13H2,(H,26,27)/b25-14+/t15-,17+/m0/s1
InChIKeyLJBVJKRYRCGTBC-NBWFOSRTSA-N
XLogP3.33
TPSA86.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(3R,5S)-5-[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]piperidine-3-carboxylic acid
CID 155534173
(3R,5S)-5-[[(2E)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
CID 155549733
(3R,5S)-5-[[(2E)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
CID 155512838
(3R,5R)-5-[2-[(2E)-2-[[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]hydrazinyl]ethyl]piperidine-3-carboxylic acid
CID 155549210
[(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea
CID 30105868
(3R,5S)-5-[[(2E)-2-[[2-(benzylamino)pyrimidin-5-yl]methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
CID 155551465
(3R,5S)-5-[[(2E)-2-[[3-(4-fluorophenyl)phenyl]methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
CID 155528762
(3R,5S)-5-[(2E)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]hydrazinyl]piperidine-3-carboxylic acid
CID 155543835
1-[(E)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]-3-phenylthiourea
CID 6870116
(3R,5S)-5-[[(2E)-2-[(2-piperidin-1-ylpyrimidin-5-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
CID 155532305
(3R,5S)-5-[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydrazinyl]piperidine-3-carboxylic acid
CID 155532626
methyl 3-(5-naphthalen-1-ylfuran-2-yl)prop-2-enoate
CID 71445900

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R,5S)-5-[[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid (CID 155543188) is (3R,5S)-5-[[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,5S)-5-[[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R,5S)-5-[[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid is O=C(O)[C@H]1CNC[C@@H](CN/N=C/c2ccc(-c3cccc4ccccc34)o2)C1.
What is the InChIKey of (3R,5S)-5-[[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid?
The InChIKey is LJBVJKRYRCGTBC-NBWFOSRTSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-22(27)17-10-15(11-23-13-17)12-24-25-14-18-8-9-21(28-18)20-7-3-5-16-4-1-2-6-19(16)20/h1-9,14-15,17,23-24H,10-13H2,(H,26,27)/b25-14+/t15-,17+/m0/s1.
What are the key properties of (3R,5S)-5-[[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid?
(3R,5S)-5-[[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid has a molecular weight of 377.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 155543188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).