2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide

C22H28N4O3 — CID 18566961

IUPAC2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cc(OC)c(=O)cc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H28N4O3/c1-3-9-23-22(28)17-26-16-21(29-2)20(27)14-19(26)15-24-10-12-25(13-11-24)18-7-5-4-6-8-18/h3-8,14,16H,1,9-13,15,17H2,2H3,(H,23,28)
InChIKeyHLQLNVNSXAQORJ-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.48
Rot. Bonds8

About 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide

2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide (PubChem CID 18566961) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide
PubChem CID18566961
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cc(OC)c(=O)cc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H28N4O3/c1-3-9-23-22(28)17-26-16-21(29-2)20(27)14-19(26)15-24-10-12-25(13-11-24)18-7-5-4-6-8-18/h3-8,14,16H,1,9-13,15,17H2,2H3,(H,23,28)
InChIKeyHLQLNVNSXAQORJ-UHFFFAOYSA-N
XLogP1.48
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27451963
2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-(4-nitrophenyl)acetamide
CID 18566955
ethyl 4-[[2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]acetyl]amino]benzoate
CID 27651653
2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 27505539
2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18567001
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 27451889
2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]-N-prop-2-enylacetamide
CID 18587704
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 18566937
N-cyclopropyl-2-[5-methoxy-4-oxo-2-[(4-phenylpiperidin-1-yl)methyl]-1-pyridinyl]acetamide
CID 75489675
2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-nitrophenyl)acetamide
CID 27451939
N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]acetamide
CID 18566990
2-[4-[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55462140

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide (CID 18566961) is 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide is C=CCNC(=O)Cn1cc(OC)c(=O)cc1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide?
The InChIKey is HLQLNVNSXAQORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-3-9-23-22(28)17-26-16-21(29-2)20(27)14-19(26)15-24-10-12-25(13-11-24)18-7-5-4-6-8-18/h3-8,14,16H,1,9-13,15,17H2,2H3,(H,23,28).
What are the key properties of 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide?
2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide has a molecular weight of 396.49 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 18566961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).