(E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide

C19H21N3O3 — CID 954608

IUPAC(E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CC1
InChIInChI=1S/C19H21N3O3/c1-15(23)21-10-12-22(13-11-21)17-6-4-16(5-7-17)20-19(24)9-8-18-3-2-14-25-18/h2-9,14H,10-13H2,1H3,(H,20,24)/b9-8+
InChIKeyYCOJEZKELHTDKE-CMDGGOBGSA-N
MW339.40 g/mol
LogP2.60
Rot. Bonds4

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

(E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 954608) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID954608
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CC1
InChIInChI=1S/C19H21N3O3/c1-15(23)21-10-12-22(13-11-21)17-6-4-16(5-7-17)20-19(24)9-8-18-3-2-14-25-18/h2-9,14H,10-13H2,1H3,(H,20,24)/b9-8+
InChIKeyYCOJEZKELHTDKE-CMDGGOBGSA-N
XLogP2.60
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.60
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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Related Compounds

(E)-3-(furan-2-yl)-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 17050595
(E)-3-(furan-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]prop-2-enamide
CID 66485469
3-(furan-2-yl)-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]prop-2-enamide
CID 3881704
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
(E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 37243408
(E)-N-[4-(1-adamantyl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 7921396
(E)-3-phenyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 17050019
1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea
CID 695806
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide (CID 954608) is (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide is CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccco3)cc2)CC1.
What is the InChIKey of (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is YCOJEZKELHTDKE-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-15(23)21-10-12-22(13-11-21)17-6-4-16(5-7-17)20-19(24)9-8-18-3-2-14-25-18/h2-9,14H,10-13H2,1H3,(H,20,24)/b9-8+.
What are the key properties of (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 339.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 954608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).