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

C21H24N4O2 — CID 86992640

IUPACN-benzyl-2-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)/C=C/c2ccccn2)CC1)NCc1ccccc1
InChIInChI=1S/C21H24N4O2/c26-20(23-16-18-6-2-1-3-7-18)17-24-12-14-25(15-13-24)21(27)10-9-19-8-4-5-11-22-19/h1-11H,12-17H2,(H,23,26)/b10-9+
InChIKeyJMQBBDUHQMFASV-MDZDMXLPSA-N
MW364.45 g/mol
LogP1.56
Rot. Bonds6

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

N-benzyl-2-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-1-yl]acetamide (PubChem CID 86992640) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-benzyl-2-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-1-yl]acetamide
PubChem CID86992640
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-benzyl-2-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)/C=C/c2ccccn2)CC1)NCc1ccccc1
InChIInChI=1S/C21H24N4O2/c26-20(23-16-18-6-2-1-3-7-18)17-24-12-14-25(15-13-24)21(27)10-9-19-8-4-5-11-22-19/h1-11H,12-17H2,(H,23,26)/b10-9+
InChIKeyJMQBBDUHQMFASV-MDZDMXLPSA-N
XLogP1.56
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide
CID 30457276
N-benzyl-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide
CID 34436231
N-benzyl-2-[4-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]acetamide
CID 30458912
N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 30458417
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
N-benzyl-2-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
CID 34437429
4-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 134052899
N-benzyl-2-(4-pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 75391386
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide
CID 46700155
N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 51329271
N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533919

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-1-yl]acetamide (CID 86992640) is N-benzyl-2-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)/C=C/c2ccccn2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-1-yl]acetamide?
The InChIKey is JMQBBDUHQMFASV-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20(23-16-18-6-2-1-3-7-18)17-24-12-14-25(15-13-24)21(27)10-9-19-8-4-5-11-22-19/h1-11H,12-17H2,(H,23,26)/b10-9+.
What are the key properties of N-benzyl-2-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-1-yl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 86992640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).