methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate

C24H25NO3 — CID 54453046

IUPACmethyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate
SMILESCOC(=O)c1cccc(C2CCNCC2OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C24H25NO3/c1-27-24(26)21-8-4-7-20(14-21)22-11-12-25-15-23(22)28-16-17-9-10-18-5-2-3-6-19(18)13-17/h2-10,13-14,22-23,25H,11-12,15-16H2,1H3
InChIKeyWWGLTDZEHZFUTD-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.29
Rot. Bonds5

About methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate

methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate (PubChem CID 54453046) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate
PubChem CID54453046
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Namemethyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate
SMILESCOC(=O)c1cccc(C2CCNCC2OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C24H25NO3/c1-27-24(26)21-8-4-7-20(14-21)22-11-12-25-15-23(22)28-16-17-9-10-18-5-2-3-6-19(18)13-17/h2-10,13-14,22-23,25H,11-12,15-16H2,1H3
InChIKeyWWGLTDZEHZFUTD-UHFFFAOYSA-N
XLogP4.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methanol
CID 70130180
N-methyl-4-[3-[(3R,4R)-3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]benzamide;hydrochloride
CID 67542525
4-methoxy-N-[[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl]benzamide
CID 22127716
[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]methyl 3,5-dimethoxybenzoate;hydrochloride
CID 22128540
2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]acetic acid
CID 22127042
4-[3-[3-(2-methoxyethoxy)phenyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine
CID 67542141
4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]-N-(3-oxo-3-phenylpropyl)benzamide
CID 22126678
4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine
CID 57115568
3-(naphthalen-2-ylmethoxy)-4-(4-propylphenyl)piperidine
CID 173295938
[(E)-3-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]prop-2-enyl] benzoate
CID 22127492
5-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenyl]pentanoic acid
CID 174421641
2-[4-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]phenoxy]ethyl 4-hydroxybenzoate
CID 22127458

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate?
The IUPAC name of methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate (CID 54453046) is methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate.
What is the SMILES notation for methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate?
The canonical SMILES for methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate is COC(=O)c1cccc(C2CCNCC2OCc2ccc3ccccc3c2)c1.
What is the InChIKey of methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate?
The InChIKey is WWGLTDZEHZFUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-27-24(26)21-8-4-7-20(14-21)22-11-12-25-15-23(22)28-16-17-9-10-18-5-2-3-6-19(18)13-17/h2-10,13-14,22-23,25H,11-12,15-16H2,1H3.
What are the key properties of methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate?
methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate has a molecular weight of 375.47 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(naphthalen-2-ylmethoxy)piperidin-4-yl]benzoate is sourced from PubChem (CID 54453046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).