(1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate

C29H30N2O3 — CID 91370091

IUPAC(1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate
SMILESC=CCC(C(=O)OC1CCN(C(N)=O)CC1c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H30N2O3/c1-2-9-25(24-16-14-22(15-17-24)21-10-5-3-6-11-21)28(32)34-27-18-19-31(29(30)33)20-26(27)23-12-7-4-8-13-23/h2-8,10-17,25-27H,1,9,18-20H2,(H2,30,33)
InChIKeyQEZALBNKQSPZQV-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.49
Rot. Bonds7

About (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate

(1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate (PubChem CID 91370091) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate.

Molecular Properties

Compound Name(1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate
PubChem CID91370091
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC Name(1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate
SMILESC=CCC(C(=O)OC1CCN(C(N)=O)CC1c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H30N2O3/c1-2-9-25(24-16-14-22(15-17-24)21-10-5-3-6-11-21)28(32)34-27-18-19-31(29(30)33)20-26(27)23-12-7-4-8-13-23/h2-8,10-17,25-27H,1,9,18-20H2,(H2,30,33)
InChIKeyQEZALBNKQSPZQV-UHFFFAOYSA-N
XLogP5.49
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate?
The IUPAC name of (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate (CID 91370091) is (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate.
What is the SMILES notation for (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate?
The canonical SMILES for (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate is C=CCC(C(=O)OC1CCN(C(N)=O)CC1c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate?
The InChIKey is QEZALBNKQSPZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3/c1-2-9-25(24-16-14-22(15-17-24)21-10-5-3-6-11-21)28(32)34-27-18-19-31(29(30)33)20-26(27)23-12-7-4-8-13-23/h2-8,10-17,25-27H,1,9,18-20H2,(H2,30,33).
What are the key properties of (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate?
(1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate has a molecular weight of 454.57 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoyl-3-phenylpiperidin-4-yl) 2-(4-phenylphenyl)pent-4-enoate is sourced from PubChem (CID 91370091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).