(6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate

C23H23NO5 — CID 60554533

IUPAC(6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate
SMILESCOc1ccc2cc(COC(=O)C3CCCCN3C(=O)c3ccco3)ccc2c1
InChIInChI=1S/C23H23NO5/c1-27-19-10-9-17-13-16(7-8-18(17)14-19)15-29-23(26)20-5-2-3-11-24(20)22(25)21-6-4-12-28-21/h4,6-10,12-14,20H,2-3,5,11,15H2,1H3
InChIKeyDBSQFTCAFXGXQP-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.18
Rot. Bonds5

About (6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate

(6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate (PubChem CID 60554533) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate
PubChem CID60554533
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name(6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate
SMILESCOc1ccc2cc(COC(=O)C3CCCCN3C(=O)c3ccco3)ccc2c1
InChIInChI=1S/C23H23NO5/c1-27-19-10-9-17-13-16(7-8-18(17)14-19)15-29-23(26)20-5-2-3-11-24(20)22(25)21-6-4-12-28-21/h4,6-10,12-14,20H,2-3,5,11,15H2,1H3
InChIKeyDBSQFTCAFXGXQP-UHFFFAOYSA-N
XLogP4.18
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944214
1-(furan-2-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 50875716
2-[(4-methoxyphenyl)methoxycarbonyl]pyrrolidine-1-carboxylic acid
CID 175383774
(4-pyrazol-1-ylphenyl)methyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 31805458
tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 81002523
1-(furan-2-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 75195661
(3-methoxyphenyl)methyl 1-butanoylpyrrolidine-2-carboxylate
CID 60529591
undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 91724066
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944359
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 42922292
furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 60716835
2-(3-methoxyphenyl)ethyl 1-benzoylpiperidine-2-carboxylate
CID 166373036

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate?
The IUPAC name of (6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate (CID 60554533) is (6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for (6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate is COc1ccc2cc(COC(=O)C3CCCCN3C(=O)c3ccco3)ccc2c1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate?
The InChIKey is DBSQFTCAFXGXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-27-19-10-9-17-13-16(7-8-18(17)14-19)15-29-23(26)20-5-2-3-11-24(20)22(25)21-6-4-12-28-21/h4,6-10,12-14,20H,2-3,5,11,15H2,1H3.
What are the key properties of (6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate?
(6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 60554533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).