methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-piperidin-1-ylprop-1-enyl]benzoate

C27H29NO3 — CID 142687999

IUPACmethyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-piperidin-1-ylprop-1-enyl]benzoate
SMILESCOC(=O)c1ccc(/C=C(\COc2cccc3ccccc23)CN2CCCCC2)cc1
InChIInChI=1S/C27H29NO3/c1-30-27(29)24-14-12-21(13-15-24)18-22(19-28-16-5-2-6-17-28)20-31-26-11-7-9-23-8-3-4-10-25(23)26/h3-4,7-15,18H,2,5-6,16-17,19-20H2,1H3/b22-18-
InChIKeyOEYKCNSGGDAVJX-PYCFMQQDSA-N
MW415.53 g/mol
LogP5.57
Rot. Bonds7

About methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-piperidin-1-ylprop-1-enyl]benzoate

methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-piperidin-1-ylprop-1-enyl]benzoate (PubChem CID 142687999) has the molecular formula C27H29NO3 and a molecular weight of 415.53 g/mol. Its IUPAC name is methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-piperidin-1-ylprop-1-enyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-piperidin-1-ylprop-1-enyl]benzoate
PubChem CID142687999
Molecular FormulaC27H29NO3
Molecular Weight415.53 g/mol
Exact Mass415.21
IUPAC Namemethyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-piperidin-1-ylprop-1-enyl]benzoate
SMILESCOC(=O)c1ccc(/C=C(\COc2cccc3ccccc23)CN2CCCCC2)cc1
InChIInChI=1S/C27H29NO3/c1-30-27(29)24-14-12-21(13-15-24)18-22(19-28-16-5-2-6-17-28)20-31-26-11-7-9-23-8-3-4-10-25(23)26/h3-4,7-15,18H,2,5-6,16-17,19-20H2,1H3/b22-18-
InChIKeyOEYKCNSGGDAVJX-PYCFMQQDSA-N
XLogP5.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.53
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-piperidin-1-ylprop-1-enyl]benzoate with MolForge

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Related Compounds

methyl 4-[(E)-2-(bromomethyl)-3-naphthalen-1-yloxyprop-1-enyl]benzoate
CID 59245026
methyl 4-[(Z)-2-[(cyclohexylamino)methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoate
CID 140547254
methyl 4-[2-[(N-ethyl-2-hydroxyanilino)methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoate
CID 91299887
methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzoate
CID 140547243
methyl 4-[2-(naphthalen-1-yloxymethyl)-3-[[4-(trifluoromethoxy)phenyl]methylamino]prop-1-enyl]benzoate
CID 91590334
methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-[[4-(trifluoromethoxy)phenyl]methylamino]prop-1-enyl]benzoate
CID 140547245
methyl 4-[(E)-2-(naphthalen-1-yloxymethyl)-3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-1-enyl]benzoate
CID 66987062
4-[2-[[(1-ethylpiperidin-4-yl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid
CID 66987208
methyl 4-[(Z)-2-[[2-(dimethylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoate
CID 142688001
N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide
CID 142687448
methyl 4-[2-[[[3-(dimethylamino)-2,2-dimethylpropyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoate
CID 91404250
4-[2-[[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzoic acid
CID 66986865

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-piperidin-1-ylprop-1-enyl]benzoate?
The IUPAC name of methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-piperidin-1-ylprop-1-enyl]benzoate (CID 142687999) is methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-piperidin-1-ylprop-1-enyl]benzoate.
What is the SMILES notation for methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-piperidin-1-ylprop-1-enyl]benzoate?
The canonical SMILES for methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-piperidin-1-ylprop-1-enyl]benzoate is COC(=O)c1ccc(/C=C(\COc2cccc3ccccc23)CN2CCCCC2)cc1.
What is the InChIKey of methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-piperidin-1-ylprop-1-enyl]benzoate?
The InChIKey is OEYKCNSGGDAVJX-PYCFMQQDSA-N. The full InChI is InChI=1S/C27H29NO3/c1-30-27(29)24-14-12-21(13-15-24)18-22(19-28-16-5-2-6-17-28)20-31-26-11-7-9-23-8-3-4-10-25(23)26/h3-4,7-15,18H,2,5-6,16-17,19-20H2,1H3/b22-18-.
What are the key properties of methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-piperidin-1-ylprop-1-enyl]benzoate?
methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-piperidin-1-ylprop-1-enyl]benzoate has a molecular weight of 415.53 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(Z)-2-(naphthalen-1-yloxymethyl)-3-piperidin-1-ylprop-1-enyl]benzoate is sourced from PubChem (CID 142687999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).