1-[3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-enoyloxy]pentyl 3-phenylprop-2-enoate

C32H35N3O4 — CID 67645880

IUPAC1-[3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-enoyloxy]pentyl 3-phenylprop-2-enoate
SMILESCCCCC(OC(=O)C=Cc1ccccc1)OC(=O)C=Cc1ccc(N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C32H35N3O4/c1-2-3-9-32(38-30(36)16-12-26-7-5-4-6-8-26)39-31(37)17-13-27-10-14-28(15-11-27)34-22-24-35(25-23-34)29-18-20-33-21-19-29/h4-8,10-21,32H,2-3,9,22-25H2,1H3
InChIKeyYTCZUPOZXXXQFH-UHFFFAOYSA-N
MW525.65 g/mol
LogP5.74
Rot. Bonds11

About 1-[3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-enoyloxy]pentyl 3-phenylprop-2-enoate

1-[3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-enoyloxy]pentyl 3-phenylprop-2-enoate (PubChem CID 67645880) has the molecular formula C32H35N3O4 and a molecular weight of 525.65 g/mol. Its IUPAC name is 1-[3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-enoyloxy]pentyl 3-phenylprop-2-enoate.

Molecular Properties

Compound Name1-[3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-enoyloxy]pentyl 3-phenylprop-2-enoate
PubChem CID67645880
Molecular FormulaC32H35N3O4
Molecular Weight525.65 g/mol
Exact Mass525.26
IUPAC Name1-[3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-enoyloxy]pentyl 3-phenylprop-2-enoate
SMILESCCCCC(OC(=O)C=Cc1ccccc1)OC(=O)C=Cc1ccc(N2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C32H35N3O4/c1-2-3-9-32(38-30(36)16-12-26-7-5-4-6-8-26)39-31(37)17-13-27-10-14-28(15-11-27)34-22-24-35(25-23-34)29-18-20-33-21-19-29/h4-8,10-21,32H,2-3,9,22-25H2,1H3
InChIKeyYTCZUPOZXXXQFH-UHFFFAOYSA-N
XLogP5.74
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-enoyloxy]pentyl 3-phenylprop-2-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-[3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-enoyloxy]pentyl 3-phenylprop-2-enoate?
The IUPAC name of 1-[3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-enoyloxy]pentyl 3-phenylprop-2-enoate (CID 67645880) is 1-[3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-enoyloxy]pentyl 3-phenylprop-2-enoate.
What is the SMILES notation for 1-[3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-enoyloxy]pentyl 3-phenylprop-2-enoate?
The canonical SMILES for 1-[3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-enoyloxy]pentyl 3-phenylprop-2-enoate is CCCCC(OC(=O)C=Cc1ccccc1)OC(=O)C=Cc1ccc(N2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of 1-[3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-enoyloxy]pentyl 3-phenylprop-2-enoate?
The InChIKey is YTCZUPOZXXXQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O4/c1-2-3-9-32(38-30(36)16-12-26-7-5-4-6-8-26)39-31(37)17-13-27-10-14-28(15-11-27)34-22-24-35(25-23-34)29-18-20-33-21-19-29/h4-8,10-21,32H,2-3,9,22-25H2,1H3.
What are the key properties of 1-[3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-enoyloxy]pentyl 3-phenylprop-2-enoate?
1-[3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-enoyloxy]pentyl 3-phenylprop-2-enoate has a molecular weight of 525.65 g/mol, XLogP of 5.74, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]prop-2-enoyloxy]pentyl 3-phenylprop-2-enoate is sourced from PubChem (CID 67645880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).