(E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide

C19H28N2O3 — CID 56786269

IUPAC(E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCC2(N3CCCCC3)CCOCC2)o1
InChIInChI=1S/C19H28N2O3/c1-16-5-6-17(24-16)7-8-18(22)20-15-19(9-13-23-14-10-19)21-11-3-2-4-12-21/h5-8H,2-4,9-15H2,1H3,(H,20,22)/b8-7+
InChIKeyOIRFWXLODBJGCJ-BQYQJAHWSA-N
MW332.44 g/mol
LogP2.75
Rot. Bonds5

About (E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide

(E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide (PubChem CID 56786269) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide
PubChem CID56786269
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCC2(N3CCCCC3)CCOCC2)o1
InChIInChI=1S/C19H28N2O3/c1-16-5-6-17(24-16)7-8-18(22)20-15-19(9-13-23-14-10-19)21-11-3-2-4-12-21/h5-8H,2-4,9-15H2,1H3,(H,20,22)/b8-7+
InChIKeyOIRFWXLODBJGCJ-BQYQJAHWSA-N
XLogP2.75
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115435589
(E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 115362561
(E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide
CID 139028127
(E)-3-(5-methylfuran-2-yl)-N-[3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6074056
1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129353
(E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 37259528
(E)-N-[(3-hydroxythiolan-3-yl)methyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75534125
(E)-3-(2-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 30254928
(E)-N-(2-cyclopentylethyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 55564815
(E)-1-(azepan-1-yl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 874177
2-[1-[3-(5-methylfuran-2-yl)prop-2-enoylamino]cyclopentyl]acetic acid
CID 77058333
(E)-3-(3-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 30254917

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide (CID 56786269) is (E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide is Cc1ccc(/C=C/C(=O)NCC2(N3CCCCC3)CCOCC2)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide?
The InChIKey is OIRFWXLODBJGCJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-16-5-6-17(24-16)7-8-18(22)20-15-19(9-13-23-14-10-19)21-11-3-2-4-12-21/h5-8H,2-4,9-15H2,1H3,(H,20,22)/b8-7+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide?
(E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide has a molecular weight of 332.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 56786269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).