(E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one

C19H22N2O2 — CID 898569

IUPAC(E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
SMILESCc1cccc(N2CCN(C(=O)/C=C/c3ccco3)CC2)c1C
InChIInChI=1S/C19H22N2O2/c1-15-5-3-7-18(16(15)2)20-10-12-21(13-11-20)19(22)9-8-17-6-4-14-23-17/h3-9,14H,10-13H2,1-2H3/b9-8+
InChIKeyFNXSWNFVZZPNFP-CMDGGOBGSA-N
MW310.40 g/mol
LogP3.26
Rot. Bonds3

About (E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one

(E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 898569) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
PubChem CID898569
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
SMILESCc1cccc(N2CCN(C(=O)/C=C/c3ccco3)CC2)c1C
InChIInChI=1S/C19H22N2O2/c1-15-5-3-7-18(16(15)2)20-10-12-21(13-11-20)19(22)9-8-17-6-4-14-23-17/h3-9,14H,10-13H2,1-2H3/b9-8+
InChIKeyFNXSWNFVZZPNFP-CMDGGOBGSA-N
XLogP3.26
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one (CID 898569) is (E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one is Cc1cccc(N2CCN(C(=O)/C=C/c3ccco3)CC2)c1C.
What is the InChIKey of (E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is FNXSWNFVZZPNFP-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-5-3-7-18(16(15)2)20-10-12-21(13-11-20)19(22)9-8-17-6-4-14-23-17/h3-9,14H,10-13H2,1-2H3/b9-8+.
What are the key properties of (E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one?
(E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 310.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 898569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).