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

C19H25BrN2O2 — CID 59686398

IUPAC1-[4-[(E)-2-(3-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCC(/C=C/c2cccc(Br)c2)CC1
InChIInChI=1S/C19H25BrN2O2/c20-18-3-1-2-17(14-18)5-4-16-6-8-22(9-7-16)19(23)15-21-10-12-24-13-11-21/h1-5,14,16H,6-13,15H2/b5-4+
InChIKeyCLDIADAJOOSDKP-SNAWJCMRSA-N
MW393.33 g/mol
LogP3.03
Rot. Bonds4

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

1-[4-[(E)-2-(3-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 59686398) has the molecular formula C19H25BrN2O2 and a molecular weight of 393.33 g/mol. Its IUPAC name is 1-[4-[(E)-2-(3-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[(E)-2-(3-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID59686398
Molecular FormulaC19H25BrN2O2
Molecular Weight393.33 g/mol
Exact Mass392.11
IUPAC Name1-[4-[(E)-2-(3-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCC(/C=C/c2cccc(Br)c2)CC1
InChIInChI=1S/C19H25BrN2O2/c20-18-3-1-2-17(14-18)5-4-16-6-8-22(9-7-16)19(23)15-21-10-12-24-13-11-21/h1-5,14,16H,6-13,15H2/b5-4+
InChIKeyCLDIADAJOOSDKP-SNAWJCMRSA-N
XLogP3.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide
CID 59686453
1-[4-[(E)-2-(3-methoxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686356
1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686441
1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 51003459
1-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid
CID 162336897
4-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide
CID 59686459
1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 59686471
1-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]-2-(1,4-oxazepan-4-yl)ethanone;hydrochloride
CID 162334768
1-[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone;oxalic acid
CID 162339607
1-[4-[(E)-2-(3-chlorophenyl)ethenyl]piperidin-1-yl]-2-piperazin-1-ylethanone
CID 59686392
1-[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]-2-(1,4-oxazepan-4-yl)ethanone
CID 59686376
(Z)-3-(3-methylphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]prop-2-en-1-one
CID 97433144

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-(3-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[(E)-2-(3-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 59686398) is 1-[4-[(E)-2-(3-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[(E)-2-(3-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[(E)-2-(3-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCC(/C=C/c2cccc(Br)c2)CC1.
What is the InChIKey of 1-[4-[(E)-2-(3-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is CLDIADAJOOSDKP-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H25BrN2O2/c20-18-3-1-2-17(14-18)5-4-16-6-8-22(9-7-16)19(23)15-21-10-12-24-13-11-21/h1-5,14,16H,6-13,15H2/b5-4+.
What are the key properties of 1-[4-[(E)-2-(3-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[(E)-2-(3-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 393.33 g/mol, XLogP of 3.03, 4 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-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 59686398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).