3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylate

C28H30NO6- — CID 22128811

IUPAC3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylate
SMILESC=CCOc1ccc(C2CCN(C(=O)[O-])CC2OCc2cc(OC)c3ccccc3c2OC)cc1
InChIInChI=1S/C28H31NO6/c1-4-15-34-21-11-9-19(10-12-21)22-13-14-29(28(30)31)17-26(22)35-18-20-16-25(32-2)23-7-5-6-8-24(23)27(20)33-3/h4-12,16,22,26H,1,13-15,17-18H2,2-3H3,(H,30,31)/p-1
InChIKeyYGSUXRIWHQUNGC-UHFFFAOYSA-M
MW476.55 g/mol
LogP4.14
Rot. Bonds9

About 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylate

3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylate (PubChem CID 22128811) has the molecular formula C28H30NO6- and a molecular weight of 476.55 g/mol. Its IUPAC name is 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylate
PubChem CID22128811
Molecular FormulaC28H30NO6-
Molecular Weight476.55 g/mol
Exact Mass476.21
IUPAC Name3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylate
SMILESC=CCOc1ccc(C2CCN(C(=O)[O-])CC2OCc2cc(OC)c3ccccc3c2OC)cc1
InChIInChI=1S/C28H31NO6/c1-4-15-34-21-11-9-19(10-12-21)22-13-14-29(28(30)31)17-26(22)35-18-20-16-25(32-2)23-7-5-6-8-24(23)27(20)33-3/h4-12,16,22,26H,1,13-15,17-18H2,2-3H3,(H,30,31)/p-1
InChIKeyYGSUXRIWHQUNGC-UHFFFAOYSA-M
XLogP4.14
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-[3-(2-methoxyphenoxy)propoxy]phenyl]piperidine-1-carboxylate
CID 22127310
tert-butyl 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-[3-(3-methoxyphenoxy)propoxy]phenyl]piperidine-1-carboxylate
CID 91322053
tert-butyl 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(4-phenylbut-3-enoxy)phenyl]piperidine-1-carboxylate
CID 54164264
4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126819
4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22127874
4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126950
3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-methoxy-3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate
CID 22128308
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylmethoxyethoxy)phenyl]piperidine-1-carboxylate
CID 22128190
4-[4-[2-(benzenesulfonyl)ethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 22127382
3-[(4-methylsulfanylphenyl)methoxy]-4-[4-[(E)-3-phenylprop-2-enoxy]phenyl]piperidine-1-carboxylate
CID 22127565
4-[4-(3-benzylsulfanylpropoxy)phenyl]-1-(dichloromethyl)-3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]piperidine
CID 90943588
3-(naphthalen-2-ylmethoxy)-4-[4-(2-phenylsulfanylethoxy)phenyl]piperidine-1-carboxylate
CID 22128353

Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylate?
The IUPAC name of 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylate (CID 22128811) is 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylate.
What is the SMILES notation for 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylate?
The canonical SMILES for 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylate is C=CCOc1ccc(C2CCN(C(=O)[O-])CC2OCc2cc(OC)c3ccccc3c2OC)cc1.
What is the InChIKey of 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylate?
The InChIKey is YGSUXRIWHQUNGC-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H31NO6/c1-4-15-34-21-11-9-19(10-12-21)22-13-14-29(28(30)31)17-26(22)35-18-20-16-25(32-2)23-7-5-6-8-24(23)27(20)33-3/h4-12,16,22,26H,1,13-15,17-18H2,2-3H3,(H,30,31)/p-1.
What are the key properties of 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylate?
3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylate has a molecular weight of 476.55 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 22128811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).