4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide

C19H21N3O3 — CID 108907475

IUPAC4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide
SMILESCc1ccc(/C=C/NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C19H21N3O3/c1-15-4-6-16(7-5-15)8-9-20-19(24)22-12-10-21(11-13-22)18(23)17-3-2-14-25-17/h2-9,14H,10-13H2,1H3,(H,20,24)/b9-8+
InChIKeyNHQHMYWLAIPNCR-CMDGGOBGSA-N
MW339.40 g/mol
LogP2.73
Rot. Bonds3

About 4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide

4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide (PubChem CID 108907475) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide
PubChem CID108907475
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide
SMILESCc1ccc(/C=C/NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C19H21N3O3/c1-15-4-6-16(7-5-15)8-9-20-19(24)22-12-10-21(11-13-22)18(23)17-3-2-14-25-17/h2-9,14H,10-13H2,1H3,(H,20,24)/b9-8+
InChIKeyNHQHMYWLAIPNCR-CMDGGOBGSA-N
XLogP2.73
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108906730
4-(furan-2-carbonyl)-N-[(E)-2-(3-methoxyphenyl)ethenyl]piperazine-1-carboxamide
CID 108905984
N-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108914854
4-benzyl-N-[(E)-2-(4-methylphenyl)ethenyl]piperidine-1-carboxamide
CID 108907226
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108914108
(E)-3-(4-aminophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 84552572
4-(furan-2-carbonyl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209116
(E)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-(4-methylphenyl)pent-2-en-1-one
CID 110414452
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 4881494
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 108544711
(Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 92909359

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide (CID 108907475) is 4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide is Cc1ccc(/C=C/NC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of 4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide?
The InChIKey is NHQHMYWLAIPNCR-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-15-4-6-16(7-5-15)8-9-20-19(24)22-12-10-21(11-13-22)18(23)17-3-2-14-25-17/h2-9,14H,10-13H2,1H3,(H,20,24)/b9-8+.
What are the key properties of 4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide?
4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide is sourced from PubChem (CID 108907475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).