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

C29H30N4O2 — CID 25120272

IUPAC2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide
SMILESC#CCN1CCN(c2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4n3CCCC4)cc2)CC1
InChIInChI=1S/C29H30N4O2/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/h1,3-5,8-9,11-14,21H,6-7,10,15-20H2,(H,30,35)
InChIKeyMUTJHVGZYZYSOA-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.07
Rot. Bonds6

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

2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide (PubChem CID 25120272) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide
PubChem CID25120272
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide
SMILESC#CCN1CCN(c2ccc(NC(=O)C(=O)c3c(-c4ccccc4)cc4n3CCCC4)cc2)CC1
InChIInChI=1S/C29H30N4O2/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/h1,3-5,8-9,11-14,21H,6-7,10,15-20H2,(H,30,35)
InChIKeyMUTJHVGZYZYSOA-UHFFFAOYSA-N
XLogP4.07
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.07
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': 'triple_bond', '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-enylpiperazin-1-yl)phenyl]acetamide
CID 25120628
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-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide
CID 25121318
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-(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
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide
CID 5038526
N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9327985
N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 24997918
N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide
CID 67326733
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide
CID 4018062

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-ynylpiperazin-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-ynylpiperazin-1-yl)phenyl]acetamide (CID 25120272) is 2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-ynylpiperazin-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-ynylpiperazin-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-ynylpiperazin-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-ynylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is MUTJHVGZYZYSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/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/h1,3-5,8-9,11-14,21H,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-ynylpiperazin-1-yl)phenyl]acetamide?
2-oxo-2-(2-phenyl-5,6,7,8-tetrahydroindolizin-3-yl)-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 466.59 g/mol, XLogP of 4.07, 6 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-ynylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 25120272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).