(Z)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide

C24H23N3O3 — CID 2283010

IUPAC(Z)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C\c1ccco1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H23N3O3/c28-23(13-12-22-7-4-18-30-22)25-20-8-10-21(11-9-20)26-14-16-27(17-15-26)24(29)19-5-2-1-3-6-19/h1-13,18H,14-17H2,(H,25,28)/b13-12-
InChIKeyASXSYAMGCXIAFO-SEYXRHQNSA-N
MW401.47 g/mol
LogP3.89
Rot. Bonds5

About (Z)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide

(Z)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 2283010) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is (Z)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID2283010
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name(Z)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C\c1ccco1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C24H23N3O3/c28-23(13-12-22-7-4-18-30-22)25-20-8-10-21(11-9-20)26-14-16-27(17-15-26)24(29)19-5-2-1-3-6-19/h1-13,18H,14-17H2,(H,25,28)/b13-12-
InChIKeyASXSYAMGCXIAFO-SEYXRHQNSA-N
XLogP3.89
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (Z)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide (CID 2283010) is (Z)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C\c1ccco1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of (Z)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is ASXSYAMGCXIAFO-SEYXRHQNSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-23(13-12-22-7-4-18-30-22)25-20-8-10-21(11-9-20)26-14-16-27(17-15-26)24(29)19-5-2-1-3-6-19/h1-13,18H,14-17H2,(H,25,28)/b13-12-.
What are the key properties of (Z)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
(Z)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 401.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 2283010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).