N-[(5S)-6-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide

C25H30Cl2N4O2 — CID 18869321

IUPACN-[(5S)-6-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
SMILESO=C(NCCCCC(C(=O)N/N=C/c1ccc(Cl)cc1Cl)N1CCCCC1)c1ccccc1
InChIInChI=1S/C25H30Cl2N4O2/c26-21-13-12-20(22(27)17-21)18-29-30-25(33)23(31-15-7-2-8-16-31)11-5-6-14-28-24(32)19-9-3-1-4-10-19/h1,3-4,9-10,12-13,17-18,23H,2,5-8,11,14-16H2,(H,28,32)(H,30,33)/b29-18+
InChIKeyTVKWWVPGWGOMTM-RDRPBHBLSA-N
MW489.45 g/mol
LogP4.90
Rot. Bonds10

About N-[(5S)-6-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide

N-[(5S)-6-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide (PubChem CID 18869321) has the molecular formula C25H30Cl2N4O2 and a molecular weight of 489.45 g/mol. Its IUPAC name is N-[(5S)-6-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide.

Molecular Properties

Compound NameN-[(5S)-6-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
PubChem CID18869321
Molecular FormulaC25H30Cl2N4O2
Molecular Weight489.45 g/mol
Exact Mass488.17
IUPAC NameN-[(5S)-6-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
SMILESO=C(NCCCCC(C(=O)N/N=C/c1ccc(Cl)cc1Cl)N1CCCCC1)c1ccccc1
InChIInChI=1S/C25H30Cl2N4O2/c26-21-13-12-20(22(27)17-21)18-29-30-25(33)23(31-15-7-2-8-16-31)11-5-6-14-28-24(32)19-9-3-1-4-10-19/h1,3-4,9-10,12-13,17-18,23H,2,5-8,11,14-16H2,(H,28,32)(H,30,33)/b29-18+
InChIKeyTVKWWVPGWGOMTM-RDRPBHBLSA-N
XLogP4.90
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-oxo-5-piperidin-1-yl-6-[2-(thiophen-2-ylmethylidene)hydrazinyl]hexyl]benzamide
CID 4509497
N-[6-[2-(furan-2-ylmethylidene)hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide
CID 4509498
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
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N,N'-bis[(2,4-dichlorophenyl)methylideneamino]octanediamide
CID 4154213
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925017

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-6-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide?
The IUPAC name of N-[(5S)-6-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide (CID 18869321) is N-[(5S)-6-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide.
What is the SMILES notation for N-[(5S)-6-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide?
The canonical SMILES for N-[(5S)-6-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide is O=C(NCCCCC(C(=O)N/N=C/c1ccc(Cl)cc1Cl)N1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(5S)-6-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide?
The InChIKey is TVKWWVPGWGOMTM-RDRPBHBLSA-N. The full InChI is InChI=1S/C25H30Cl2N4O2/c26-21-13-12-20(22(27)17-21)18-29-30-25(33)23(31-15-7-2-8-16-31)11-5-6-14-28-24(32)19-9-3-1-4-10-19/h1,3-4,9-10,12-13,17-18,23H,2,5-8,11,14-16H2,(H,28,32)(H,30,33)/b29-18+.
What are the key properties of N-[(5S)-6-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide?
N-[(5S)-6-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide has a molecular weight of 489.45 g/mol, XLogP of 4.90, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-6-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-oxo-5-piperidin-1-ylhexyl]benzamide is sourced from PubChem (CID 18869321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).