4-[(N-benzylanilino)carbamoyl]-N-phenylpiperidine-1-carboxamide

C26H28N4O2 — CID 39476368

IUPAC4-[(N-benzylanilino)carbamoyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(NN(Cc1ccccc1)c1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C26H28N4O2/c31-25(22-16-18-29(19-17-22)26(32)27-23-12-6-2-7-13-23)28-30(24-14-8-3-9-15-24)20-21-10-4-1-5-11-21/h1-15,22H,16-20H2,(H,27,32)(H,28,31)
InChIKeyMJBJQTXVVHPEGN-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.67
Rot. Bonds6

About 4-[(N-benzylanilino)carbamoyl]-N-phenylpiperidine-1-carboxamide

4-[(N-benzylanilino)carbamoyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 39476368) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-[(N-benzylanilino)carbamoyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(N-benzylanilino)carbamoyl]-N-phenylpiperidine-1-carboxamide
PubChem CID39476368
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name4-[(N-benzylanilino)carbamoyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(NN(Cc1ccccc1)c1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C26H28N4O2/c31-25(22-16-18-29(19-17-22)26(32)27-23-12-6-2-7-13-23)28-30(24-14-8-3-9-15-24)20-21-10-4-1-5-11-21/h1-15,22H,16-20H2,(H,27,32)(H,28,31)
InChIKeyMJBJQTXVVHPEGN-UHFFFAOYSA-N
XLogP4.67
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 2113074
[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836718
4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478442
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836607
1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078818
4-[2-[benzyl(propyl)amino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 78819158
4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26776914
1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 26447107
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162

Frequently Asked Questions

What is the IUPAC name of 4-[(N-benzylanilino)carbamoyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[(N-benzylanilino)carbamoyl]-N-phenylpiperidine-1-carboxamide (CID 39476368) is 4-[(N-benzylanilino)carbamoyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(N-benzylanilino)carbamoyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(N-benzylanilino)carbamoyl]-N-phenylpiperidine-1-carboxamide is O=C(NN(Cc1ccccc1)c1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[(N-benzylanilino)carbamoyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is MJBJQTXVVHPEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c31-25(22-16-18-29(19-17-22)26(32)27-23-12-6-2-7-13-23)28-30(24-14-8-3-9-15-24)20-21-10-4-1-5-11-21/h1-15,22H,16-20H2,(H,27,32)(H,28,31).
What are the key properties of 4-[(N-benzylanilino)carbamoyl]-N-phenylpiperidine-1-carboxamide?
4-[(N-benzylanilino)carbamoyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-benzylanilino)carbamoyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 39476368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).