N-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide

C20H21N5O — CID 143029810

IUPACN-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
SMILES[H]/N=C(\N=N\N)c1cccc(C2=CC3(CCNCC3)Oc3ccccc32)c1
InChIInChI=1S/C20H21N5O/c21-19(24-25-22)15-5-3-4-14(12-15)17-13-20(8-10-23-11-9-20)26-18-7-2-1-6-16(17)18/h1-7,12-13,23H,8-11H2,(H3,21,22,24)
InChIKeyCGXOZVRJYLREIY-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.28
Rot. Bonds2

About N-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide

N-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide (PubChem CID 143029810) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
PubChem CID143029810
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
SMILES[H]/N=C(\N=N\N)c1cccc(C2=CC3(CCNCC3)Oc3ccccc32)c1
InChIInChI=1S/C20H21N5O/c21-19(24-25-22)15-5-3-4-14(12-15)17-13-20(8-10-23-11-9-20)26-18-7-2-1-6-16(17)18/h1-7,12-13,23H,8-11H2,(H3,21,22,24)
InChIKeyCGXOZVRJYLREIY-UHFFFAOYSA-N
XLogP3.28
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-spiro[chromene-2,4'-piperidine]-4-ylbenzonitrile
CID 59674314
N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
CID 143029921
4-spiro[chromene-2,4'-piperidine]-4-ylphenol
CID 25129433
S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine
CID 143029851
(4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine
CID 143642783
4-[5-(3-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]butanoic acid
CID 57480993
methyl 2-[5-(3-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]acetate
CID 59674596
ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
CID 143304248
ethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide
CID 143642631
1-spiro[chromene-2,4'-piperidine]-4-ylethenamine
CID 143543689
2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine
CID 11955546
7-methoxy-4-phenylspiro[chromene-2,4'-piperidine]
CID 18770929

Frequently Asked Questions

What is the IUPAC name of N-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide?
The IUPAC name of N-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide (CID 143029810) is N-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide.
What is the SMILES notation for N-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide?
The canonical SMILES for N-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide is [H]/N=C(\N=N\N)c1cccc(C2=CC3(CCNCC3)Oc3ccccc32)c1.
What is the InChIKey of N-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide?
The InChIKey is CGXOZVRJYLREIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c21-19(24-25-22)15-5-3-4-14(12-15)17-13-20(8-10-23-11-9-20)26-18-7-2-1-6-16(17)18/h1-7,12-13,23H,8-11H2,(H3,21,22,24).
What are the key properties of N-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide?
N-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide has a molecular weight of 347.42 g/mol, XLogP of 3.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide is sourced from PubChem (CID 143029810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).