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

C35H38NO7- — CID 22128308

IUPAC3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-methoxy-3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate
SMILESCOc1c(COC2CN(C(=O)[O-])CCC2c2ccc(OCC(COCc3ccccc3)OC)cc2)ccc2ccccc12
InChIInChI=1S/C35H39NO7/c1-39-30(23-41-21-25-8-4-3-5-9-25)24-42-29-16-14-27(15-17-29)31-18-19-36(35(37)38)20-33(31)43-22-28-13-12-26-10-6-7-11-32(26)34(28)40-2/h3-17,30-31,33H,18-24H2,1-2H3,(H,37,38)/p-1
InChIKeyFLILZNROTZUMIE-UHFFFAOYSA-M
MW584.69 g/mol
LogP5.18
Rot. Bonds13

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

3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-methoxy-3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate (PubChem CID 22128308) has the molecular formula C35H38NO7- and a molecular weight of 584.69 g/mol. Its IUPAC name is 3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-methoxy-3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-methoxy-3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate
PubChem CID22128308
Molecular FormulaC35H38NO7-
Molecular Weight584.69 g/mol
Exact Mass584.27
IUPAC Name3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-methoxy-3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate
SMILESCOc1c(COC2CN(C(=O)[O-])CCC2c2ccc(OCC(COCc3ccccc3)OC)cc2)ccc2ccccc12
InChIInChI=1S/C35H39NO7/c1-39-30(23-41-21-25-8-4-3-5-9-25)24-42-29-16-14-27(15-17-29)31-18-19-36(35(37)38)20-33(31)43-22-28-13-12-26-10-6-7-11-32(26)34(28)40-2/h3-17,30-31,33H,18-24H2,1-2H3,(H,37,38)/p-1
InChIKeyFLILZNROTZUMIE-UHFFFAOYSA-M
XLogP5.18
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.69
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22127874
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate
CID 22128190
4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22127455
3-[(8-hydroxynaphthalen-2-yl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate
CID 22128644
tert-butyl 3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-phenoxyethyl)phenyl]piperidine-1-carboxylate
CID 54214747
4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22127187
3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylate
CID 22128811
3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-[3-(2-methoxyphenoxy)propoxy]phenyl]piperidine-1-carboxylate
CID 22127310
4-[4-[2-(2-methoxy-2-phenylacetyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22128032
4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126819
tert-butyl 4-[4-(2-hydroxyethyl)phenyl]-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 91308798
4-[4-[2-(benzenesulfonyl)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22127382

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-methoxy-3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate?
The IUPAC name of 3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-methoxy-3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate (CID 22128308) is 3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-methoxy-3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate.
What is the SMILES notation for 3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-methoxy-3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate?
The canonical SMILES for 3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-methoxy-3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate is COc1c(COC2CN(C(=O)[O-])CCC2c2ccc(OCC(COCc3ccccc3)OC)cc2)ccc2ccccc12.
What is the InChIKey of 3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-methoxy-3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate?
The InChIKey is FLILZNROTZUMIE-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H39NO7/c1-39-30(23-41-21-25-8-4-3-5-9-25)24-42-29-16-14-27(15-17-29)31-18-19-36(35(37)38)20-33(31)43-22-28-13-12-26-10-6-7-11-32(26)34(28)40-2/h3-17,30-31,33H,18-24H2,1-2H3,(H,37,38)/p-1.
What are the key properties of 3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-methoxy-3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate?
3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-methoxy-3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate has a molecular weight of 584.69 g/mol, XLogP of 5.18, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-methoxy-3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 22128308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).