2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide

C20H23ClN4O2 — CID 6886482

IUPAC2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/C=C\c1ccco1
InChIInChI=1S/C20H23ClN4O2/c21-19-8-2-1-5-17(19)15-24-10-12-25(13-11-24)16-20(26)23-22-9-3-6-18-7-4-14-27-18/h1-9,14H,10-13,15-16H2,(H,23,26)/b6-3-,22-9+
InChIKeyFAIPPBJHVWAHBS-LKOHMNKRSA-N
MW386.88 g/mol
LogP2.87
Rot. Bonds7

About 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide

2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide (PubChem CID 6886482) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
PubChem CID6886482
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/C=C\c1ccco1
InChIInChI=1S/C20H23ClN4O2/c21-19-8-2-1-5-17(19)15-24-10-12-25(13-11-24)16-20(26)23-22-9-3-6-18-7-4-14-27-18/h1-9,14H,10-13,15-16H2,(H,23,26)/b6-3-,22-9+
InChIKeyFAIPPBJHVWAHBS-LKOHMNKRSA-N
XLogP2.87
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide
CID 5061171
2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
CID 6865026
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
CID 12005036
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 6885049
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 6887474
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6887785
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(2-chloro-3-phenylprop-2-enylidene)amino]acetamide
CID 4300448
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135877791
N-[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 3977033
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 6885952
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135635808
2-(4-benzylpiperazin-1-yl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide
CID 1185547

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide?
The IUPAC name of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide (CID 6886482) is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide is O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/C=C\c1ccco1.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide?
The InChIKey is FAIPPBJHVWAHBS-LKOHMNKRSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c21-19-8-2-1-5-17(19)15-24-10-12-25(13-11-24)16-20(26)23-22-9-3-6-18-7-4-14-27-18/h1-9,14H,10-13,15-16H2,(H,23,26)/b6-3-,22-9+.
What are the key properties of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide?
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide has a molecular weight of 386.88 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide is sourced from PubChem (CID 6886482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).