2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide

C29H32N4O2 — CID 25120628

IUPAC2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide
SMILESC=CCN1CCN(c2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4n3CCCC4)cc2)CC1
InChIInChI=1S/C29H32N4O2/c1-2-15-31-17-19-32(20-18-31)24-13-11-23(12-14-24)30-29(35)28(34)27-26(22-8-4-3-5-9-22)21-25-10-6-7-16-33(25)27/h2-5,8-9,11-14,21H,1,6-7,10,15-20H2,(H,30,35)
InChIKeyJEKGQYNOXNYHKT-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.62
Rot. Bonds7

About 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide

2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide (PubChem CID 25120628) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide
PubChem CID25120628
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide
SMILESC=CCN1CCN(c2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4n3CCCC4)cc2)CC1
InChIInChI=1S/C29H32N4O2/c1-2-15-31-17-19-32(20-18-31)24-13-11-23(12-14-24)30-29(35)28(34)27-26(22-8-4-3-5-9-22)21-25-10-6-7-16-33(25)27/h2-5,8-9,11-14,21H,1,6-7,10,15-20H2,(H,30,35)
InChIKeyJEKGQYNOXNYHKT-UHFFFAOYSA-N
XLogP4.62
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide
CID 25120272
N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)acetamide
CID 25119919
2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2-methylprop-2-enyl)piperazin-1-yl]phenyl]-2-oxoacetamide
CID 25121317
2-(2-cyclopentyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide
CID 25121318
2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]-2-oxoacetamide
CID 91885568
2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxoacetamide
CID 67238906
2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-1-yl)-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]acetamide
CID 66878541
N-phenyl-4-prop-2-enylpiperazine-1-carboxamide
CID 23822231
N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 24997918
2-[4-[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55462140
ethyl 2-[2-[2-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]anilino]-2-oxoacetyl]-5-methyl-3-phenylpyrrol-1-yl]acetate
CID 66914978
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide
CID 3886802

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide (CID 25120628) is 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide is C=CCN1CCN(c2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4n3CCCC4)cc2)CC1.
What is the InChIKey of 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is JEKGQYNOXNYHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-2-15-31-17-19-32(20-18-31)24-13-11-23(12-14-24)30-29(35)28(34)27-26(22-8-4-3-5-9-22)21-25-10-6-7-16-33(25)27/h2-5,8-9,11-14,21H,1,6-7,10,15-20H2,(H,30,35).
What are the key properties of 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide?
2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 468.60 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-enylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 25120628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).