1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone

C20H28N2O3 — CID 59686356

IUPAC1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCOc1cccc(/C=C/C2CCN(C(=O)CN3CCOCC3)CC2)c1
InChIInChI=1S/C20H28N2O3/c1-24-19-4-2-3-18(15-19)6-5-17-7-9-22(10-8-17)20(23)16-21-11-13-25-14-12-21/h2-6,15,17H,7-14,16H2,1H3/b6-5+
InChIKeyZEAGVABYYUECQV-AATRIKPKSA-N
MW344.45 g/mol
LogP2.28
Rot. Bonds5

About 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone

1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 59686356) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID59686356
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCOc1cccc(/C=C/C2CCN(C(=O)CN3CCOCC3)CC2)c1
InChIInChI=1S/C20H28N2O3/c1-24-19-4-2-3-18(15-19)6-5-17-7-9-22(10-8-17)20(23)16-21-11-13-25-14-12-21/h2-6,15,17H,7-14,16H2,1H3/b6-5+
InChIKeyZEAGVABYYUECQV-AATRIKPKSA-N
XLogP2.28
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 59686356) is 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone is COc1cccc(/C=C/C2CCN(C(=O)CN3CCOCC3)CC2)c1.
What is the InChIKey of 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is ZEAGVABYYUECQV-AATRIKPKSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-24-19-4-2-3-18(15-19)6-5-17-7-9-22(10-8-17)20(23)16-21-11-13-25-14-12-21/h2-6,15,17H,7-14,16H2,1H3/b6-5+.
What are the key properties of 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 344.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 59686356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).