2-oxo-N-propan-2-yl-2-[4-[(E)-3-pyridin-4-ylprop-2-enoyl]piperazin-1-yl]acetamide

C17H22N4O3 — CID 60541252

IUPAC2-oxo-N-propan-2-yl-2-[4-[(E)-3-pyridin-4-ylprop-2-enoyl]piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)/C=C/c2ccncc2)CC1
InChIInChI=1S/C17H22N4O3/c1-13(2)19-16(23)17(24)21-11-9-20(10-12-21)15(22)4-3-14-5-7-18-8-6-14/h3-8,13H,9-12H2,1-2H3,(H,19,23)/b4-3+
InChIKeyHPYZWCPZIVYAQB-ONEGZZNKSA-N
MW330.39 g/mol
LogP0.29
Rot. Bonds3

About 2-oxo-N-propan-2-yl-2-[4-[(E)-3-pyridin-4-ylprop-2-enoyl]piperazin-1-yl]acetamide

2-oxo-N-propan-2-yl-2-[4-[(E)-3-pyridin-4-ylprop-2-enoyl]piperazin-1-yl]acetamide (PubChem CID 60541252) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-oxo-N-propan-2-yl-2-[4-[(E)-3-pyridin-4-ylprop-2-enoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-oxo-N-propan-2-yl-2-[4-[(E)-3-pyridin-4-ylprop-2-enoyl]piperazin-1-yl]acetamide
PubChem CID60541252
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-oxo-N-propan-2-yl-2-[4-[(E)-3-pyridin-4-ylprop-2-enoyl]piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)/C=C/c2ccncc2)CC1
InChIInChI=1S/C17H22N4O3/c1-13(2)19-16(23)17(24)21-11-9-20(10-12-21)15(22)4-3-14-5-7-18-8-6-14/h3-8,13H,9-12H2,1-2H3,(H,19,23)/b4-3+
InChIKeyHPYZWCPZIVYAQB-ONEGZZNKSA-N
XLogP0.29
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-oxo-2-[4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 51279119
2-[4-[3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]prop-2-enoyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55461361
(E)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 39585313
(E)-3-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one
CID 9048300
1-(3-pyridin-4-ylprop-2-enoyl)-3,4-dihydro-2H-azepin-7-one
CID 155645985
(Z)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 98444599
(E)-3-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 115342949
(E)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 75407583
(E)-1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 39443903
(E)-3-[4-(azepan-1-yl)phenyl]-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 9226718
3-(4-bromophenyl)-1-[4-[3-(4-bromophenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one
CID 5058589
(E)-1-(4-acetyl-1,4-diazepan-1-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 134026519

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-propan-2-yl-2-[4-[(E)-3-pyridin-4-ylprop-2-enoyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-oxo-N-propan-2-yl-2-[4-[(E)-3-pyridin-4-ylprop-2-enoyl]piperazin-1-yl]acetamide (CID 60541252) is 2-oxo-N-propan-2-yl-2-[4-[(E)-3-pyridin-4-ylprop-2-enoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-oxo-N-propan-2-yl-2-[4-[(E)-3-pyridin-4-ylprop-2-enoyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-oxo-N-propan-2-yl-2-[4-[(E)-3-pyridin-4-ylprop-2-enoyl]piperazin-1-yl]acetamide is CC(C)NC(=O)C(=O)N1CCN(C(=O)/C=C/c2ccncc2)CC1.
What is the InChIKey of 2-oxo-N-propan-2-yl-2-[4-[(E)-3-pyridin-4-ylprop-2-enoyl]piperazin-1-yl]acetamide?
The InChIKey is HPYZWCPZIVYAQB-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-13(2)19-16(23)17(24)21-11-9-20(10-12-21)15(22)4-3-14-5-7-18-8-6-14/h3-8,13H,9-12H2,1-2H3,(H,19,23)/b4-3+.
What are the key properties of 2-oxo-N-propan-2-yl-2-[4-[(E)-3-pyridin-4-ylprop-2-enoyl]piperazin-1-yl]acetamide?
2-oxo-N-propan-2-yl-2-[4-[(E)-3-pyridin-4-ylprop-2-enoyl]piperazin-1-yl]acetamide has a molecular weight of 330.39 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propan-2-yl-2-[4-[(E)-3-pyridin-4-ylprop-2-enoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 60541252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).