3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate

C33H34NO6- — CID 22128644

IUPAC3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(c2ccc(OCCCOCc3ccccc3)cc2)C(OCc2ccc3cccc(O)c3c2)C1
InChIInChI=1S/C33H35NO6/c35-31-9-4-8-26-11-10-25(20-30(26)31)23-40-32-21-34(33(36)37)17-16-29(32)27-12-14-28(15-13-27)39-19-5-18-38-22-24-6-2-1-3-7-24/h1-4,6-15,20,29,32,35H,5,16-19,21-23H2,(H,36,37)/p-1
InChIKeyQGXHNAALXGCRCV-UHFFFAOYSA-M
MW540.64 g/mol
LogP5.25
Rot. Bonds11

About 3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate

3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate (PubChem CID 22128644) has the molecular formula C33H34NO6- and a molecular weight of 540.64 g/mol. Its IUPAC name is 3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate
PubChem CID22128644
Molecular FormulaC33H34NO6-
Molecular Weight540.64 g/mol
Exact Mass540.24
IUPAC Name3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(c2ccc(OCCCOCc3ccccc3)cc2)C(OCc2ccc3cccc(O)c3c2)C1
InChIInChI=1S/C33H35NO6/c35-31-9-4-8-26-11-10-25(20-30(26)31)23-40-32-21-34(33(36)37)17-16-29(32)27-12-14-28(15-13-27)39-19-5-18-38-22-24-6-2-1-3-7-24/h1-4,6-15,20,29,32,35H,5,16-19,21-23H2,(H,36,37)/p-1
InChIKeyQGXHNAALXGCRCV-UHFFFAOYSA-M
XLogP5.25
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.64
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate
CID 22128190
4-[4-(3-phenylmethoxypropoxy)phenyl]-3-[[6-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22128128
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine-1-carboxylate
CID 22128353
4-[4-(3-phenylmethoxypropoxy)phenyl]-3-(1,2,3,4-tetrahydroquinolin-7-ylmethoxy)piperidine-1-carboxylate
CID 22128788
4-[4-[2-(benzenesulfonyl)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22127382
3-[[7-[(dimethylamino)methyl]naphthalen-2-yl]methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid
CID 22128195
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenoxyethoxymethyl)phenyl]piperidine-1-carboxylic acid
CID 22126829
tert-butyl 3-(naphthalen-2-ylmethoxy)-4-[4-(4-phenylmethoxybutoxy)phenyl]piperidine-1-carboxylate
CID 54446458
3-[(4-hydroxynaphthalen-2-yl)methoxy]-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylic acid
CID 22127119
4-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22128440
3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate
CID 22127405
4-[2-[methyl(3-phenylmethoxypropyl)amino]pyrimidin-5-yl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22128269

Frequently Asked Questions

What is the IUPAC name of 3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate?
The IUPAC name of 3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate (CID 22128644) is 3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate.
What is the SMILES notation for 3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate?
The canonical SMILES for 3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate is O=C([O-])N1CCC(c2ccc(OCCCOCc3ccccc3)cc2)C(OCc2ccc3cccc(O)c3c2)C1.
What is the InChIKey of 3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate?
The InChIKey is QGXHNAALXGCRCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H35NO6/c35-31-9-4-8-26-11-10-25(20-30(26)31)23-40-32-21-34(33(36)37)17-16-29(32)27-12-14-28(15-13-27)39-19-5-18-38-22-24-6-2-1-3-7-24/h1-4,6-15,20,29,32,35H,5,16-19,21-23H2,(H,36,37)/p-1.
What are the key properties of 3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate?
3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate has a molecular weight of 540.64 g/mol, XLogP of 5.25, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 22128644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).