[(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate

C32H31NO3 — CID 22127492

IUPAC[(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate
SMILESO=C(OC/C=C/c1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1)c1ccccc1
InChIInChI=1S/C32H31NO3/c34-32(28-9-2-1-3-10-28)35-20-6-7-24-12-16-27(17-13-24)30-18-19-33-22-31(30)36-23-25-14-15-26-8-4-5-11-29(26)21-25/h1-17,21,30-31,33H,18-20,22-23H2/b7-6+
InChIKeyDVTPNFOMGMFJGR-VOTSOKGWSA-N
MW477.60 g/mol
LogP6.37
Rot. Bonds8

About [(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate

[(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate (PubChem CID 22127492) has the molecular formula C32H31NO3 and a molecular weight of 477.60 g/mol. Its IUPAC name is [(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate.

Molecular Properties

Compound Name[(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate
PubChem CID22127492
Molecular FormulaC32H31NO3
Molecular Weight477.60 g/mol
Exact Mass477.23
IUPAC Name[(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate
SMILESO=C(OC/C=C/c1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1)c1ccccc1
InChIInChI=1S/C32H31NO3/c34-32(28-9-2-1-3-10-28)35-20-6-7-24-12-16-27(17-13-24)30-18-19-33-22-31(30)36-23-25-14-15-26-8-4-5-11-29(26)21-25/h1-17,21,30-31,33H,18-20,22-23H2/b7-6+
InChIKeyDVTPNFOMGMFJGR-VOTSOKGWSA-N
XLogP6.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.60
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate with MolForge

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Related Compounds

2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethyl 4-hydroxybenzoate
CID 22127458
2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid
CID 22127042
[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride
CID 22128540
methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate
CID 54453046
4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide
CID 22126678
5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid
CID 174421641
tert-butyl formate;2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]-1-phenylethanone
CID 174398005
tert-butyl formate;[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol
CID 174435135
phenacyl 2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetate;2,2,2-trifluoroacetic acid
CID 159327738
3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine
CID 173295938
4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl]benzamide
CID 22127716
ethyl 2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]acetate;2,2,2-trifluoroacetic acid
CID 159894696

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate?
The IUPAC name of [(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate (CID 22127492) is [(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate.
What is the SMILES notation for [(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate?
The canonical SMILES for [(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate is O=C(OC/C=C/c1ccc(C2CCNCC2OCc2ccc3ccccc3c2)cc1)c1ccccc1.
What is the InChIKey of [(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate?
The InChIKey is DVTPNFOMGMFJGR-VOTSOKGWSA-N. The full InChI is InChI=1S/C32H31NO3/c34-32(28-9-2-1-3-10-28)35-20-6-7-24-12-16-27(17-13-24)30-18-19-33-22-31(30)36-23-25-14-15-26-8-4-5-11-29(26)21-25/h1-17,21,30-31,33H,18-20,22-23H2/b7-6+.
What are the key properties of [(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate?
[(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate has a molecular weight of 477.60 g/mol, XLogP of 6.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate is sourced from PubChem (CID 22127492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).