N-benzyl-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide

C21H25N3O3 — CID 34436231

IUPACN-benzyl-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide
SMILESCc1ccc(/C=C/C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)o1
InChIInChI=1S/C21H25N3O3/c1-17-7-8-19(27-17)9-10-21(26)24-13-11-23(12-14-24)16-20(25)22-15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,22,25)/b10-9+
InChIKeyFAGFAINUEJLVQF-MDZDMXLPSA-N
MW367.45 g/mol
LogP2.06
Rot. Bonds6

About N-benzyl-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide (PubChem CID 34436231) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-benzyl-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide
PubChem CID34436231
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-benzyl-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide
SMILESCc1ccc(/C=C/C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)o1
InChIInChI=1S/C21H25N3O3/c1-17-7-8-19(27-17)9-10-21(26)24-13-11-23(12-14-24)16-20(25)22-15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,22,25)/b10-9+
InChIKeyFAGFAINUEJLVQF-MDZDMXLPSA-N
XLogP2.06
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.06
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

2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]-N-phenylacetamide
CID 31348888
N-benzyl-2-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-1-yl]acetamide
CID 86992640
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-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide
CID 30457276
(E)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 43416155
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 77003919
3-(5-methylfuran-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 4198718
(E)-1-(azepan-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 874177
N-benzyl-2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 24613930
(E)-N-benzyl-2-cyano-5-(5-methylfuran-2-yl)-3-oxopent-4-enamide
CID 47052883
(E)-3-(5-methylfuran-2-yl)-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]prop-2-en-1-one
CID 75534043
N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 51329271

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide (CID 34436231) is N-benzyl-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide is Cc1ccc(/C=C/C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)o1.
What is the InChIKey of N-benzyl-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide?
The InChIKey is FAGFAINUEJLVQF-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-17-7-8-19(27-17)9-10-21(26)24-13-11-23(12-14-24)16-20(25)22-15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,22,25)/b10-9+.
What are the key properties of N-benzyl-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.06, 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-(5-methylfuran-2-yl)prop-2-enoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 34436231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).