N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide

C18H25N3O2 — CID 113115563

IUPACN-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide
SMILESC=CCN(CCC(=O)N1CCN(c2ccccc2)CC1)C(C)=O
InChIInChI=1S/C18H25N3O2/c1-3-10-19(16(2)22)11-9-18(23)21-14-12-20(13-15-21)17-7-5-4-6-8-17/h3-8H,1,9-15H2,2H3
InChIKeyDTGBWTYVOMNIFD-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.76
Rot. Bonds6

About N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide

N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide (PubChem CID 113115563) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide
PubChem CID113115563
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide
SMILESC=CCN(CCC(=O)N1CCN(c2ccccc2)CC1)C(C)=O
InChIInChI=1S/C18H25N3O2/c1-3-10-19(16(2)22)11-9-18(23)21-14-12-20(13-15-21)17-7-5-4-6-8-17/h3-8H,1,9-15H2,2H3
InChIKeyDTGBWTYVOMNIFD-UHFFFAOYSA-N
XLogP1.76
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide
CID 113115517
N-[2-(2-fluorophenyl)ethyl]-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113120951
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
N-(oxolan-2-ylmethyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113117299
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
N-(2-methylpropyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113158861
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide
CID 113125862
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methylpropyl)acetamide
CID 113115975
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
2-methyl-1-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981322
N-(5-chloro-2-methylphenyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113127710

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide?
The IUPAC name of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide (CID 113115563) is N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide is C=CCN(CCC(=O)N1CCN(c2ccccc2)CC1)C(C)=O.
What is the InChIKey of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide?
The InChIKey is DTGBWTYVOMNIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-10-19(16(2)22)11-9-18(23)21-14-12-20(13-15-21)17-7-5-4-6-8-17/h3-8H,1,9-15H2,2H3.
What are the key properties of N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide?
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide has a molecular weight of 315.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 113115563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).