1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide

C30H33N3O3 — CID 47060248

IUPAC1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C30H33N3O3/c1-30(2,3)32-28(35)23-14-16-24(17-15-23)31-29(36)25-18-19-26(34)33(20-21-10-6-4-7-11-21)27(25)22-12-8-5-9-13-22/h4-17,25,27H,18-20H2,1-3H3,(H,31,36)(H,32,35)
InChIKeyLIVJFJNBIFHTRX-UHFFFAOYSA-N
MW483.61 g/mol
LogP5.33
Rot. Bonds6

About 1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide

1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 47060248) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is 1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID47060248
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC Name1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/C30H33N3O3/c1-30(2,3)32-28(35)23-14-16-24(17-15-23)31-29(36)25-18-19-26(34)33(20-21-10-6-4-7-11-21)27(25)22-12-8-5-9-13-22/h4-17,25,27H,18-20H2,1-3H3,(H,31,36)(H,32,35)
InChIKeyLIVJFJNBIFHTRX-UHFFFAOYSA-N
XLogP5.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide (CID 47060248) is 1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide is CC(C)(C)NC(=O)c1ccc(NC(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of 1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is LIVJFJNBIFHTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-30(2,3)32-28(35)23-14-16-24(17-15-23)31-29(36)25-18-19-26(34)33(20-21-10-6-4-7-11-21)27(25)22-12-8-5-9-13-22/h4-17,25,27H,18-20H2,1-3H3,(H,31,36)(H,32,35).
What are the key properties of 1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 483.61 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 47060248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).