[4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate

C30H34N2O3 — CID 71133955

IUPAC[4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate
SMILESO=C(NCCCc1ccccc1)OC1(c2ccccc2)CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C30H34N2O3/c33-28(19-18-26-13-6-2-7-14-26)32-23-20-30(21-24-32,27-16-8-3-9-17-27)35-29(34)31-22-10-15-25-11-4-1-5-12-25/h1-9,11-14,16-17H,10,15,18-24H2,(H,31,34)
InChIKeyDHPVCOIWZOYFFR-UHFFFAOYSA-N
MW470.61 g/mol
LogP5.50
Rot. Bonds9

About [4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate

[4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate (PubChem CID 71133955) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is [4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate.

Molecular Properties

Compound Name[4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate
PubChem CID71133955
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Name[4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate
SMILESO=C(NCCCc1ccccc1)OC1(c2ccccc2)CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C30H34N2O3/c33-28(19-18-26-13-6-2-7-14-26)32-23-20-30(21-24-32,27-16-8-3-9-17-27)35-29(34)31-22-10-15-25-11-4-1-5-12-25/h1-9,11-14,16-17H,10,15,18-24H2,(H,31,34)
InChIKeyDHPVCOIWZOYFFR-UHFFFAOYSA-N
XLogP5.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 55.50
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-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate?
The IUPAC name of [4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate (CID 71133955) is [4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate.
What is the SMILES notation for [4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate?
The canonical SMILES for [4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate is O=C(NCCCc1ccccc1)OC1(c2ccccc2)CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of [4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate?
The InChIKey is DHPVCOIWZOYFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c33-28(19-18-26-13-6-2-7-14-26)32-23-20-30(21-24-32,27-16-8-3-9-17-27)35-29(34)31-22-10-15-25-11-4-1-5-12-25/h1-9,11-14,16-17H,10,15,18-24H2,(H,31,34).
What are the key properties of [4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate?
[4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate has a molecular weight of 470.61 g/mol, XLogP of 5.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-1-(3-phenylpropanoyl)piperidin-4-yl] N-(3-phenylpropyl)carbamate is sourced from PubChem (CID 71133955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).