N-[6-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide

C23H30N4O2S — CID 4509497

IUPACN-[6-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide
SMILESO=C(NCCCCC(C(=O)NN=Cc1cccs1)N1CCCCC1)c1ccccc1
InChIInChI=1S/C23H30N4O2S/c28-22(19-10-3-1-4-11-19)24-14-6-5-13-21(27-15-7-2-8-16-27)23(29)26-25-18-20-12-9-17-30-20/h1,3-4,9-12,17-18,21H,2,5-8,13-16H2,(H,24,28)(H,26,29)
InChIKeyVJBWLSHHRGLYMW-UHFFFAOYSA-N
MW426.59 g/mol
LogP3.65
Rot. Bonds10

About N-[6-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide

N-[6-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide (PubChem CID 4509497) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is N-[6-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide.

Molecular Properties

Compound NameN-[6-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide
PubChem CID4509497
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC NameN-[6-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide
SMILESO=C(NCCCCC(C(=O)NN=Cc1cccs1)N1CCCCC1)c1ccccc1
InChIInChI=1S/C23H30N4O2S/c28-22(19-10-3-1-4-11-19)24-14-6-5-13-21(27-15-7-2-8-16-27)23(29)26-25-18-20-12-9-17-30-20/h1,3-4,9-12,17-18,21H,2,5-8,13-16H2,(H,24,28)(H,26,29)
InChIKeyVJBWLSHHRGLYMW-UHFFFAOYSA-N
XLogP3.65
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 53.65
H-Bond Donors ≤ 52
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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Related Compounds

N-[6-[2-(furan-2-ylmethylidene)hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 4509498
N-[(5S)-6-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 18869321
N-[(5R)-6-[(2E)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 18869327
N-[6-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 4509491
N-[6-[2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 4509500
N-[6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide
CID 4508547
N-[6-[2-[(3-bromophenyl)methylidene]hydrazinyl]-5-morpholin-4-yl-6-oxohexyl]benzamide
CID 4508719
2-(azocan-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 5331773
(2R,7R)-1,8-diphenyl-2,7-di(piperidin-1-yl)octane-1,8-dione
CID 31275145
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[3-[[N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]propyl]benzamide
CID 111012285

Frequently Asked Questions

What is the IUPAC name of N-[6-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide?
The IUPAC name of N-[6-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide (CID 4509497) is N-[6-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide.
What is the SMILES notation for N-[6-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide?
The canonical SMILES for N-[6-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide is O=C(NCCCCC(C(=O)NN=Cc1cccs1)N1CCCCC1)c1ccccc1.
What is the InChIKey of N-[6-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide?
The InChIKey is VJBWLSHHRGLYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c28-22(19-10-3-1-4-11-19)24-14-6-5-13-21(27-15-7-2-8-16-27)23(29)26-25-18-20-12-9-17-30-20/h1,3-4,9-12,17-18,21H,2,5-8,13-16H2,(H,24,28)(H,26,29).
What are the key properties of N-[6-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide?
N-[6-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide has a molecular weight of 426.59 g/mol, XLogP of 3.65, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide is sourced from PubChem (CID 4509497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).