4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperidine-2-carboxylic acid

C30H41N3O4 — CID 19968472

IUPAC4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCCCCN(CCCCC)C(=O)C1CCN(C(=O)N(c2ccccc2)c2ccccc2)C(C(=O)O)C1
InChIInChI=1S/C30H41N3O4/c1-3-5-13-20-31(21-14-6-4-2)28(34)24-19-22-32(27(23-24)29(35)36)30(37)33(25-15-9-7-10-16-25)26-17-11-8-12-18-26/h7-12,15-18,24,27H,3-6,13-14,19-23H2,1-2H3,(H,35,36)
InChIKeyPUZLVFWWIPCNFL-UHFFFAOYSA-N
MW507.68 g/mol
LogP6.32
Rot. Bonds12

About 4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperidine-2-carboxylic acid

4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 19968472) has the molecular formula C30H41N3O4 and a molecular weight of 507.68 g/mol. Its IUPAC name is 4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID19968472
Molecular FormulaC30H41N3O4
Molecular Weight507.68 g/mol
Exact Mass507.31
IUPAC Name4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperidine-2-carboxylic acid
SMILESCCCCCN(CCCCC)C(=O)C1CCN(C(=O)N(c2ccccc2)c2ccccc2)C(C(=O)O)C1
InChIInChI=1S/C30H41N3O4/c1-3-5-13-20-31(21-14-6-4-2)28(34)24-19-22-32(27(23-24)29(35)36)30(37)33(25-15-9-7-10-16-25)26-17-11-8-12-18-26/h7-12,15-18,24,27H,3-6,13-14,19-23H2,1-2H3,(H,35,36)
InChIKeyPUZLVFWWIPCNFL-UHFFFAOYSA-N
XLogP6.32
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.68
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperidine-2-carboxylic acid (CID 19968472) is 4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperidine-2-carboxylic acid is CCCCCN(CCCCC)C(=O)C1CCN(C(=O)N(c2ccccc2)c2ccccc2)C(C(=O)O)C1.
What is the InChIKey of 4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is PUZLVFWWIPCNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O4/c1-3-5-13-20-31(21-14-6-4-2)28(34)24-19-22-32(27(23-24)29(35)36)30(37)33(25-15-9-7-10-16-25)26-17-11-8-12-18-26/h7-12,15-18,24,27H,3-6,13-14,19-23H2,1-2H3,(H,35,36).
What are the key properties of 4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperidine-2-carboxylic acid?
4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 507.68 g/mol, XLogP of 6.32, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipentylcarbamoyl)-1-(diphenylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 19968472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).