N-[1-[4-phenyl-4-(phenylhydrazinylidene)butyl]piperidin-4-yl]cyclohexanecarboxamide

C28H38N4O — CID 154338396

IUPACN-[1-[4-phenyl-4-(phenylhydrazinylidene)butyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(CCCC(=NNc2ccccc2)c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C28H38N4O/c33-28(24-13-6-2-7-14-24)29-25-18-21-32(22-19-25)20-10-17-27(23-11-4-1-5-12-23)31-30-26-15-8-3-9-16-26/h1,3-5,8-9,11-12,15-16,24-25,30H,2,6-7,10,13-14,17-22H2,(H,29,33)
InChIKeyARGPVWPKHWTQKI-UHFFFAOYSA-N
MW446.64 g/mol
LogP5.44
Rot. Bonds9

About N-[1-[4-phenyl-4-(phenylhydrazinylidene)butyl]piperidin-4-yl]cyclohexanecarboxamide

N-[1-[4-phenyl-4-(phenylhydrazinylidene)butyl]piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 154338396) has the molecular formula C28H38N4O and a molecular weight of 446.64 g/mol. Its IUPAC name is N-[1-[4-phenyl-4-(phenylhydrazinylidene)butyl]piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[4-phenyl-4-(phenylhydrazinylidene)butyl]piperidin-4-yl]cyclohexanecarboxamide
PubChem CID154338396
Molecular FormulaC28H38N4O
Molecular Weight446.64 g/mol
Exact Mass446.30
IUPAC NameN-[1-[4-phenyl-4-(phenylhydrazinylidene)butyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(CCCC(=NNc2ccccc2)c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C28H38N4O/c33-28(24-13-6-2-7-14-24)29-25-18-21-32(22-19-25)20-10-17-27(23-11-4-1-5-12-23)31-30-26-15-8-3-9-16-26/h1,3-5,8-9,11-12,15-16,24-25,30H,2,6-7,10,13-14,17-22H2,(H,29,33)
InChIKeyARGPVWPKHWTQKI-UHFFFAOYSA-N
XLogP5.44
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 55.44
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-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea
CID 12940306
N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide
CID 57114875
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
2-[2-[4-(cyclohexanecarbonylamino)piperidin-1-yl]ethoxy]benzoic acid
CID 126785814
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-[1-(2-cyclohexylethyl)piperidin-4-yl]benzamide
CID 21413269
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995
N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 30137317
1-[2-(cyclohexylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134327

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-phenyl-4-(phenylhydrazinylidene)butyl]piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[4-phenyl-4-(phenylhydrazinylidene)butyl]piperidin-4-yl]cyclohexanecarboxamide (CID 154338396) is N-[1-[4-phenyl-4-(phenylhydrazinylidene)butyl]piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[4-phenyl-4-(phenylhydrazinylidene)butyl]piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[4-phenyl-4-(phenylhydrazinylidene)butyl]piperidin-4-yl]cyclohexanecarboxamide is O=C(NC1CCN(CCCC(=NNc2ccccc2)c2ccccc2)CC1)C1CCCCC1.
What is the InChIKey of N-[1-[4-phenyl-4-(phenylhydrazinylidene)butyl]piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is ARGPVWPKHWTQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O/c33-28(24-13-6-2-7-14-24)29-25-18-21-32(22-19-25)20-10-17-27(23-11-4-1-5-12-23)31-30-26-15-8-3-9-16-26/h1,3-5,8-9,11-12,15-16,24-25,30H,2,6-7,10,13-14,17-22H2,(H,29,33).
What are the key properties of N-[1-[4-phenyl-4-(phenylhydrazinylidene)butyl]piperidin-4-yl]cyclohexanecarboxamide?
N-[1-[4-phenyl-4-(phenylhydrazinylidene)butyl]piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 446.64 g/mol, XLogP of 5.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-phenyl-4-(phenylhydrazinylidene)butyl]piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 154338396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).