ethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide

C23H29N3O2 — CID 143642631

IUPACethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide
SMILESCC.[H]/N=C(\N)c1ccc(C2=CC3(CCNCC3)Oc3cccc(OC)c32)cc1
InChIInChI=1S/C21H23N3O2.C2H6/c1-25-17-3-2-4-18-19(17)16(13-21(26-18)9-11-24-12-10-21)14-5-7-15(8-6-14)20(22)23;1-2/h2-8,13,24H,9-12H2,1H3,(H3,22,23);1-2H3
InChIKeyJHJMXKXATRRAIE-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.95
Rot. Bonds3

About ethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide

ethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide (PubChem CID 143642631) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is ethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide.

Molecular Properties

Compound Nameethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide
PubChem CID143642631
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Nameethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide
SMILESCC.[H]/N=C(\N)c1ccc(C2=CC3(CCNCC3)Oc3cccc(OC)c32)cc1
InChIInChI=1S/C21H23N3O2.C2H6/c1-25-17-3-2-4-18-19(17)16(13-21(26-18)9-11-24-12-10-21)14-5-7-15(8-6-14)20(22)23;1-2/h2-8,13,24H,9-12H2,1H3,(H3,22,23);1-2H3
InChIKeyJHJMXKXATRRAIE-UHFFFAOYSA-N
XLogP3.95
TPSA80.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine
CID 143642783
4-[4-[1-(methylideneamino)ethenyl]phenyl]spiro[chromene-2,4'-piperidine]-5-ol
CID 143642463
N,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide
CID 66696321
4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)-N,N-di(propan-2-yl)cyclopenta-1,3-diene-1-carboxamide
CID 143642674
4-spiro[chromene-2,4'-piperidine]-4-ylphenol
CID 25129433
4-(2-methoxyphenyl)benzenecarboximidamide
CID 82287821
ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
CID 143304248
N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzenesulfonamide;methane;5-methoxy-4-[4-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
CID 157142454
N-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
CID 143029810
N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
CID 143029921
1-spiro[chromene-2,4'-piperidine]-4-ylethenamine
CID 143543689
4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane
CID 143304509

Frequently Asked Questions

What is the IUPAC name of ethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide?
The IUPAC name of ethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide (CID 143642631) is ethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide.
What is the SMILES notation for ethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide?
The canonical SMILES for ethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide is CC.[H]/N=C(\N)c1ccc(C2=CC3(CCNCC3)Oc3cccc(OC)c32)cc1.
What is the InChIKey of ethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide?
The InChIKey is JHJMXKXATRRAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2.C2H6/c1-25-17-3-2-4-18-19(17)16(13-21(26-18)9-11-24-12-10-21)14-5-7-15(8-6-14)20(22)23;1-2/h2-8,13,24H,9-12H2,1H3,(H3,22,23);1-2H3.
What are the key properties of ethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide?
ethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide has a molecular weight of 379.50 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide is sourced from PubChem (CID 143642631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).