4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide

C22H25ClN4O2 — CID 18272424

IUPAC4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide
SMILESO=C(CCN1CCCCC1)N/N=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H25ClN4O2/c23-19-9-7-18(8-10-19)22(29)25-20-6-4-5-17(15-20)16-24-26-21(28)11-14-27-12-2-1-3-13-27/h4-10,15-16H,1-3,11-14H2,(H,25,29)(H,26,28)/b24-16+
InChIKeyFUUQOTHIAMLLKA-LFVJCYFKSA-N
MW412.92 g/mol
LogP3.92
Rot. Bonds7

About 4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide

4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide (PubChem CID 18272424) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide
PubChem CID18272424
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide
SMILESO=C(CCN1CCCCC1)N/N=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H25ClN4O2/c23-19-9-7-18(8-10-19)22(29)25-20-6-4-5-17(15-20)16-24-26-21(28)11-14-27-12-2-1-3-13-27/h4-10,15-16H,1-3,11-14H2,(H,25,29)(H,26,28)/b24-16+
InChIKeyFUUQOTHIAMLLKA-LFVJCYFKSA-N
XLogP3.92
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-ethoxybenzamide
CID 6906990
N-[(3-chlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 2477195
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide
CID 5346912
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-piperidin-1-ylpropanamide
CID 6900602
N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide
CID 6161963
3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]propanamide
CID 6021675
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylethyl)benzamide
CID 70967822
4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide
CID 2419562
4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide
CID 18267434

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide (CID 18272424) is 4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide is O=C(CCN1CCCCC1)N/N=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide?
The InChIKey is FUUQOTHIAMLLKA-LFVJCYFKSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c23-19-9-7-18(8-10-19)22(29)25-20-6-4-5-17(15-20)16-24-26-21(28)11-14-27-12-2-1-3-13-27/h4-10,15-16H,1-3,11-14H2,(H,25,29)(H,26,28)/b24-16+.
What are the key properties of 4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide?
4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide has a molecular weight of 412.92 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide is sourced from PubChem (CID 18272424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).