4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide

C24H31N3O2 — CID 26776914

IUPAC4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCCCCCc1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-2-3-5-8-19-11-13-22(14-12-19)25-23(28)20-15-17-27(18-16-20)24(29)26-21-9-6-4-7-10-21/h4,6-7,9-14,20H,2-3,5,8,15-18H2,1H3,(H,25,28)(H,26,29)
InChIKeyMXTASXQWGYLSIW-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.30
Rot. Bonds7

About 4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 26776914) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID26776914
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCCCCCc1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-2-3-5-8-19-11-13-22(14-12-19)25-23(28)20-15-17-27(18-16-20)24(29)26-21-9-6-4-7-10-21/h4,6-7,9-14,20H,2-3,5,8,15-18H2,1H3,(H,25,28)(H,26,29)
InChIKeyMXTASXQWGYLSIW-UHFFFAOYSA-N
XLogP5.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078818
1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
CID 24503682
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766
N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545
4-[(4-butylphenyl)carbamothioyl]-N-phenylpiperazine-1-carboxamide
CID 9240911
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
3-(cyclopropanecarbonylamino)-N-(4-pentylphenyl)benzamide
CID 34030665
N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride
CID 162755830
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
4-N-(3-hydroxy-4-methoxyphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478742
4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 17484027

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide (CID 26776914) is 4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide is CCCCCc1ccc(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is MXTASXQWGYLSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-2-3-5-8-19-11-13-22(14-12-19)25-23(28)20-15-17-27(18-16-20)24(29)26-21-9-6-4-7-10-21/h4,6-7,9-14,20H,2-3,5,8,15-18H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 393.53 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 26776914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).