1-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one

C22H32N2O2 — CID 174492810

IUPAC1-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCc1cc(C)cc(/C=C/C2CCN(C(=O)CCN3CCOCC3)CC2)c1
InChIInChI=1S/C22H32N2O2/c1-18-15-19(2)17-21(16-18)4-3-20-5-9-24(10-6-20)22(25)7-8-23-11-13-26-14-12-23/h3-4,15-17,20H,5-14H2,1-2H3/b4-3+
InChIKeyOPSIWMKDUVBXMX-ONEGZZNKSA-N
MW356.51 g/mol
LogP3.28
Rot. Bonds5

About 1-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one

1-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 174492810) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID174492810
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCc1cc(C)cc(/C=C/C2CCN(C(=O)CCN3CCOCC3)CC2)c1
InChIInChI=1S/C22H32N2O2/c1-18-15-19(2)17-21(16-18)4-3-20-5-9-24(10-6-20)22(25)7-8-23-11-13-26-14-12-23/h3-4,15-17,20H,5-14H2,1-2H3/b4-3+
InChIKeyOPSIWMKDUVBXMX-ONEGZZNKSA-N
XLogP3.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one (CID 174492810) is 1-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one is Cc1cc(C)cc(/C=C/C2CCN(C(=O)CCN3CCOCC3)CC2)c1.
What is the InChIKey of 1-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is OPSIWMKDUVBXMX-ONEGZZNKSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-18-15-19(2)17-21(16-18)4-3-20-5-9-24(10-6-20)22(25)7-8-23-11-13-26-14-12-23/h3-4,15-17,20H,5-14H2,1-2H3/b4-3+.
What are the key properties of 1-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
1-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 356.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-(3,5-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 174492810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).